For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
METHYL-(6R*,1'S*)-3-BENZYL-5-ETHYLOXYCARBONYL-6-(2'-NITROETHYL-1'-PHENYL)-4,5,6,7-TETRAHYDRO-3H-IMIDAZO-[4,5-C]-PYRIDIN-6-CARBOXYLATE
SpectraBase Compound ID EJEbwhw716M
InChI InChI=1S/C26H28N4O6/c1-3-36-25(32)29-17-23-22(27-18-28(23)15-19-10-6-4-7-11-19)14-26(29,24(31)35-2)21(16-30(33)34)20-12-8-5-9-13-20/h4-13,18,21H,3,14-17H2,1-2H3/t21-,26-/m1/s1
InChIKey FLOGIRVZIWXXED-QFQXNSOFSA-N
Mol Weight 492.53 g/mol
Molecular Formula C26H28N4O6
Exact Mass 492.200885 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DXDXDyfIQU5
Name (6R)-3-benzyl-6-[(1S)-2-nitro-1-phenyl-ethyl]-4,7-dihydroimidazo[4,5-c]pyridine-5,6-dicarboxylic acid O5-ethyl ester O6-methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28N4O6
InChI InChI=1S/C26H28N4O6/c1-3-36-25(32)29-17-23-22(27-18-28(23)15-19-10-6-4-7-11-19)14-26(29,24(31)35-2)21(16-30(33)34)20-12-8-5-9-13-20/h4-13,18,21H,3,14-17H2,1-2H3/t21-,26-/m1/s1
InChIKey FLOGIRVZIWXXED-QFQXNSOFSA-N
Molecular Weight 492.532 g/mol
SMILES [C@@]1(N(Cc2c(C1)nc[n]2Cc1ccccc1)C(=O)OCC)([C@](CN(=O)=O)(c1ccccc1)[H])C(=O)OC
SPLASH splash10-0006-9003100000-267b01914f87ea38f9db
Source of Spectrum Y-40-920-6
Synonyms (6R)-6-[(1S)-2-nitro-1-phenylethyl]-3-(phenylmethyl)-4,7-dihydroimidazo[4,5-c]pyridine-5,6-dicarboxylic acid O5-ethyl ester O6-methyl ester 5-O-ethyl 6-O-methyl (6R)-3-benzyl-6-[(1S)-2-nitro-1-phenylethyl]-4,7-dihydroimidazo[4,5-c]pyridine-5,6-dicarboxylate O5-ethyl O6-methyl (6R)-3-benzyl-6-[(1S)-2-nitro-1-phenyl-ethyl]-4,7-dihydroimidazo[4,5-c]pyridine-5,6-dicarboxylate O5-ethyl O6-methyl (6R)-6-[(1S)-2-nitro-1-phenyl-ethyl]-3-(phenylmethyl)-4,7-dihydroimidazo[4,5-c]pyridine-5,6-dicarboxylate
Wiley ID 1529039