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4-Nitrobenzenecarbothioic acid S-methyl ester
SpectraBase Compound ID GGnCq2AcvVY
InChI InChI=1S/C8H7NO3S/c1-13-8(10)6-2-4-7(5-3-6)9(11)12/h2-5H,1H3
InChIKey HVUISGPOCMQVNR-UHFFFAOYSA-N
Mol Weight 197.21 g/mol
Molecular Formula C8H7NO3S
Exact Mass 197.014664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1BtNBxRxai9
Name 4-Nitrobenzenecarbothioic acid S-methyl ester
Alternate Name(s) S-Methyl 4-nitrobenzenecarbothioate 4-Nitrothiobenzoic acid S-methyl ester Benzenecarbothioic acid, 4-nitro-, S-methyl ester
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Formula C8H7NO3S
InChI InChI=1S/C8H7NO3S/c1-13-8(10)6-2-4-7(5-3-6)9(11)12/h2-5H,1H3
InChIKey HVUISGPOCMQVNR-UHFFFAOYSA-N
Molecular Weight 197.208 g/mol
SMILES c1(N(=O)=O)ccc(C(=O)SC)cc1
SPLASH splash10-0ufu-9500000000-ec6227676a1af9a9be65
Source of Spectrum QF-41-326-4
Wiley ID 832822