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Benzenecarbothioic acid, 4-nitro-, anhydrosulfide
SpectraBase Compound ID EUdaz5AYVl3
InChI InChI=1S/C14H8N2O6S/c17-13(9-1-5-11(6-2-9)15(19)20)23-14(18)10-3-7-12(8-4-10)16(21)22/h1-8H
InChIKey JKRPOJHFOVGSCM-UHFFFAOYSA-N
Mol Weight 332.29 g/mol
Molecular Formula C14H8N2O6S
Exact Mass 332.010307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DGD67QR12AP
Name Benzenecarbothioic acid, 4-nitro-, anhydrosulfide
Alternate Name(s) 4-Nitrophenyl thioanhydride Bis-p-nitrobenzoyl sulphide p-Nitrothiobenzoic acid anhydrosulfide 4-Nitrobenzenecarbothioic acid S-[(4-nitrophenyl)-oxomethyl] ester S-(4-nitrobenzoyl) 4-nitrobenzenecarbothioate S-(4-nitrophenyl)carbonyl 4-nitrobenzenecarbothioate
CAS Registry Number 39924-02-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H8N2O6S
InChI InChI=1S/C14H8N2O6S/c17-13(9-1-5-11(6-2-9)15(19)20)23-14(18)10-3-7-12(8-4-10)16(21)22/h1-8H
InChIKey JKRPOJHFOVGSCM-UHFFFAOYSA-N
Molecular Weight 332.286 g/mol
SMILES c1(N(=O)=O)ccc(C(SC(c2ccc(N(=O)=O)cc2)=O)=O)cc1
SPLASH splash10-0udi-6900000000-f8b2152336e7cbf46406
Source of Spectrum KC-1976-569-0
Wiley ID 1329035