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Benzoic acid, 4-(cyclopentylthio)-3-nitro-, methyl ester
SpectraBase Compound ID 9376loPcbdR
InChI InChI=1S/C13H15NO4S/c1-18-13(15)9-6-7-12(11(8-9)14(16)17)19-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3
InChIKey AFIRPIUXGBESKU-UHFFFAOYSA-N
Mol Weight 281.33 g/mol
Molecular Formula C13H15NO4S
Exact Mass 281.072179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 47MPUqaPJmn
Name Benzoic acid, 4-(cyclopentylthio)-3-nitro-, methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO4S
InChI InChI=1S/C13H15NO4S/c1-18-13(15)9-6-7-12(11(8-9)14(16)17)19-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3
InChIKey AFIRPIUXGBESKU-UHFFFAOYSA-N
Molecular Weight 281.326 g/mol
SMILES c1(cc(c(SC2CCCC2)cc1)N(=O)=O)C(OC)=O
SPLASH splash10-014l-9620000000-08b0273309808567e7da
Source of Spectrum IY-2-4748-6
Synonyms Methyl 4-(cyclopentylsulfanyl)-3-nitrobenzoate 4-(cyclopentylthio)-3-nitrobenzoic acid methyl ester Methyl 4-cyclopentylsulfanyl-3-nitrobenzoate Methyl 4-cyclopentylsulfanyl-3-nitro-benzoate
Wiley ID 1655469