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

*Links on SpectraBase are not permalinks.
Methyl 4-Ethyl-3-hydroxy-6-[(4-nitrophenyl)sulfanyl]-1-1'-biphenyl-2-carboxylate
SpectraBase Compound ID ECVyMAzH6Dj
InChI InChI=1S/C22H19NO5S/c1-3-14-13-18(29-17-11-9-16(10-12-17)23(26)27)19(15-7-5-4-6-8-15)20(21(14)24)22(25)28-2/h4-13,24H,3H2,1-2H3
InChIKey QTABXQKRDWOSKY-UHFFFAOYSA-N
Mol Weight 409.46 g/mol
Molecular Formula C22H19NO5S
Exact Mass 409.098394 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 B4IcyhzPQjA
Name Methyl 4-Ethyl-3-hydroxy-6-[(4-nitrophenyl)sulfanyl]-1-1'-biphenyl-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19NO5S
InChI InChI=1S/C22H19NO5S/c1-3-14-13-18(29-17-11-9-16(10-12-17)23(26)27)19(15-7-5-4-6-8-15)20(21(14)24)22(25)28-2/h4-13,24H,3H2,1-2H3
InChIKey QTABXQKRDWOSKY-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.200900393
Molecular Weight 409.456 g/mol
SMILES Oc1c(C(=O)OC)c(c(cc1CC)Sc1ccc(cc1)[N+](=O)[O-])-c1ccccc1
SPLASH splash10-00b9-0259200000-8265f0c873904cf643e4
Source of Spectrum H-93-1619-5k
Synonyms Methyl 4-ethyl-3-hydroxy-6-((4-nitrophenyl)thio)-[1,1'-biphenyl]-2-carboxylate
Wiley ID 1784061