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Benzenecarbothioamide, N-ethyl-2-nitro-N-(phenylmethyl)-
SpectraBase Compound ID FW6N4ttMcyQ
InChI InChI=1S/C16H16N2O2S/c1-2-17(12-13-8-4-3-5-9-13)16(21)14-10-6-7-11-15(14)18(19)20/h3-11H,2,12H2,1H3
InChIKey CRYBCNVDEJLCMW-UHFFFAOYSA-N
Mol Weight 300.38 g/mol
Molecular Formula C16H16N2O2S
Exact Mass 300.093249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fien4zyr3fY
Name Benzenecarbothioamide, N-ethyl-2-nitro-N-(phenylmethyl)-
CAS Registry Number 78031-22-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N2O2S
InChI InChI=1S/C16H16N2O2S/c1-2-17(12-13-8-4-3-5-9-13)16(21)14-10-6-7-11-15(14)18(19)20/h3-11H,2,12H2,1H3
InChIKey CRYBCNVDEJLCMW-UHFFFAOYSA-N
Molecular Weight 300.376 g/mol
SMILES c1(C(N(Cc2ccccc2)CC)=S)c(N(=O)=O)cccc1
SPLASH splash10-0006-5900000000-eea5b158d14cf68dae1b
Source of Spectrum O-15-641-1
Synonyms N-benzyl-N-ethyl-2-nitrobenzenecarbothioamide N-Benzyl-N-ethyl-2-nitrothiobenzamide N-ethyl-N-benzyl-2-nitrothiobenzamide
Wiley ID 1302738