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

*Links on SpectraBase are not permalinks.

4-(cyclopentylsulfanyl)-3-nitrobenzoic acid

View entire compound with spectra: 1 MS (GC)

4-(cyclopentylsulfanyl)-3-nitrobenzoic acid
SpectraBase Compound ID HgPOZc8FXkY
InChI InChI=1S/C12H13NO4S/c14-12(15)8-5-6-11(10(7-8)13(16)17)18-9-3-1-2-4-9/h5-7,9H,1-4H2,(H,14,15)
InChIKey QFRRVRJMPRJHQD-UHFFFAOYSA-N
Mol Weight 267.3 g/mol
Molecular Formula C12H13NO4S
Exact Mass 267.056529 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 IxyyqSJhk7y
Name 4-(cyclopentylsulfanyl)-3-nitrobenzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO4S
InChI InChI=1S/C12H13NO4S/c14-12(15)8-5-6-11(10(7-8)13(16)17)18-9-3-1-2-4-9/h5-7,9H,1-4H2,(H,14,15)
InChIKey QFRRVRJMPRJHQD-UHFFFAOYSA-N
Molecular Weight 267.299 g/mol
SMILES OC(c1cc(N(=O)=O)c(SC2CCCC2)cc1)=O
SPLASH splash10-014l-9500000000-e7c21dc738cd993cf73b
Source of Spectrum IY-2-5135-9
Synonyms 4-(cyclopentylthio)-3-nitrobenzoic acid 4-cyclopentylsulfanyl-3-nitrobenzoic acid 4-cyclopentylsulfanyl-3-nitro-benzoic acid
Wiley ID 1659342