Tuesday, March 27, 2007

UC0229




Name :N-[(5-methyl-2-furyl)methyl]acetamide
Smiles:O=C(C)NCc1oc(C)cc1
InChI=1/C8H11NO2/c1-6-3-4-8(11-6)5-9-7(2)10/h3-4H,5H2,1-2H3,(H,9,10)

IR Neat [Perkin Elmer-FTIR Specttrum 1000]
HNMR [CDCl3- Varian Inova 300MHz]
CNMR [CDCl3 -Varian Inova 300MHz]
DEPT [Image]
All Protonated Carbons [90 Pulse]

Monday, March 26, 2007

UC0228



Name : Acetophenone
Smiles:CC(C1=CC=CC=C1)=O
InChI=1/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
HNMR (Solvent: CDCl3, Varian 300MHz)
13CNMR (Solvent: CDCl3, Varian 300MHz)

Tuesday, March 06, 2007

UC0227

Smiles :O=C(CNC(=O)OC(C)(C)C)N(Cc1ccc(C)o1)C(c2ccc(OC)c(OC)c2)C(=O)NCc3ccccc3
InChI=1/C30H37N3O7/c1-20-12-14-23(39-20)19-33(26(34)18-32-29(36)40-30(2,3)4)27(22-13-15-24(37-5)25(16-22)38-6)28(35)31-17-21-10-8-7-9-11-21/h7-16,27H,17-19H2,1-6H3,(H,31,35)(H,32,36)

H NMR in CDCl3
H NMR in CDCl3 / CD3OD
64C 13C-NMR
64C -DEPT spectrum:image
64C-DEPT -190 degree pulse [All Protonated Carbon]

UC0226


Smiles : [H]/C(C2=CC(OC)=C(OC)C=C2)=N/CC1=CC=C(C)O1
InChI=1/C15H17NO3/c1-11-4-6-13(19-11)10-16-9-12-5-7-14(17-2)15(8-12)18-3/h4-9H,10H2,1-3H3/b16-9-
Name: N-[(1Z)-(3,4-dimethoxyphenyl)methylene]-1-(5-methyl-2-furyl)methanamine,
Imine of Veratraldehyde and 5-Methylfurfurylamine.

H NMR : (CD3OD / Varian Inova 300MHz)
C NMR : (CD3OD / Varian Inova 300MHz)
H NMRAssignments

Monday, March 05, 2007

UC0225






Diketopiperazine formed when cyclizing UC0224.


SMILES: Cc1ccc(o1)CN4C(=O)CNC(=O)C4c2ccc3OCOc3c2