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S-ETHYL-PARA-NITROTHIOLBENZOATE
SpectraBase Compound ID IB55WuddvzY
InChI InChI=1S/C9H9NO3S/c1-2-14-9(11)7-3-5-8(6-4-7)10(12)13/h3-6H,2H2,1H3
InChIKey OCUSVOYGBFETNB-UHFFFAOYSA-N
Mol Weight 211.23 g/mol
Molecular Formula C9H9NO3S
Exact Mass 211.030314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ELEp7VmefcK
Name Benzenecarbothioic acid, 4-nitro-, S-ethyl ester
Alternate Name(s) 4-Nitrobenzenecarbothioic acid S-ethyl ester 4-Nitrothiobenzoic acid S-ethyl ester S-ethyl 4-nitrobenzenecarbothioate
CAS Registry Number 24524-95-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NO3S
InChI InChI=1S/C9H9NO3S/c1-2-14-9(11)7-3-5-8(6-4-7)10(12)13/h3-6H,2H2,1H3
InChIKey OCUSVOYGBFETNB-UHFFFAOYSA-N
Molecular Weight 211.235 g/mol
SMILES c1(N(=O)=O)ccc(C(=O)SCC)cc1
SPLASH splash10-0a4i-3910000000-ff70ec7247dfba3a5bb4
Source of Spectrum O-3-2624-0
Wiley ID 1210168