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

*Links on SpectraBase are not permalinks.
trans-N-Benzyl-4-(3-N-benzylcarbamoyl-3-buten-1-yl)-3-p-toluenesulfonylmethyl-pyrrolidin-2-one
SpectraBase Compound ID Jh0AHECwtq8
InChI InChI=1S/C31H34N2O4S/c1-23-13-17-28(18-14-23)38(36,37)22-29-27(21-33(31(29)35)20-26-11-7-4-8-12-26)16-15-24(2)30(34)32-19-25-9-5-3-6-10-25/h3-14,17-18,27,29H,2,15-16,19-22H2,1H3,(H,32,34)/t27-,29+/m0/s1
InChIKey CBQVXZFMWWIFSS-LMSSTIIKSA-N
Mol Weight 530.7 g/mol
Molecular Formula C31H34N2O4S
Exact Mass 530.223929 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 FVeC4c3wovf
Name trans-N-Benzyl-4-(3-N-benzylcarbamoyl-3-buten-1-yl)-3-p-toluenesulfonylmethyl-pyrrolidin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H34N2O4S
InChI InChI=1S/C31H34N2O4S/c1-23-13-17-28(18-14-23)38(36,37)22-29-27(21-33(31(29)35)20-26-11-7-4-8-12-26)16-15-24(2)30(34)32-19-25-9-5-3-6-10-25/h3-14,17-18,27,29H,2,15-16,19-22H2,1H3,(H,32,34)/t27-,29+/m0/s1
InChIKey CBQVXZFMWWIFSS-LMSSTIIKSA-N
Molecular Weight 530.683 g/mol
SMILES N(C(C(CC[C@@]1([C@](C(N(Cc2ccccc2)C1)=O)(CS(c1ccc(cc1)C)(=O)=O)[H])[H])=C)=O)Cc1ccccc1
SPLASH splash10-0006-9221300000-99372792a111fe526b25
Source of Spectrum F-47-5432-3
Synonyms N-benzyl-2-[2-((3R,4R)-1-benzyl-4-{[(4-methylphenyl)sulfonyl]methyl}-5-oxopyrrolidinyl)ethyl]acrylamide
Wiley ID 1403358