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3-Chloranyl-N-(3-methylphenyl)benzo[g][1]benzothiole-2-carboxamide
SpectraBase Compound ID DkVHLXBcws4
InChI InChI=1S/C20H14ClNOS/c1-12-5-4-7-14(11-12)22-20(23)19-17(21)16-10-9-13-6-2-3-8-15(13)18(16)24-19/h2-11H,1H3,(H,22,23)
InChIKey XFLBYWNTGNDZGX-UHFFFAOYSA-N
Mol Weight 351.85 g/mol
Molecular Formula C20H14ClNOS
Exact Mass 351.048463 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6nMPOW8oexE
Name 3-Chloranyl-N-(3-methylphenyl)benzo[g][1]benzothiole-2-carboxamide
CAS Registry Number 96547-27-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H14ClNOS
InChI InChI=1S/C20H14ClNOS/c1-12-5-4-7-14(11-12)22-20(23)19-17(21)16-10-9-13-6-2-3-8-15(13)18(16)24-19/h2-11H,1H3,(H,22,23)
InChIKey XFLBYWNTGNDZGX-UHFFFAOYSA-N
Molecular Weight 351.851 g/mol
SMILES N(C(c1sc2c3c(cccc3)ccc2c1Cl)=O)c1cc(C)ccc1
SPLASH splash10-0002-0191000000-aac634a4d5ebf5167154
Source of Spectrum Y-22-213-7
Synonyms 3-Chloro-N-(3-methylphenyl)-2-benzo[g][1]benzothiolecarboxamide 3-Chloro-N-(3-methylphenyl)benzo[g][1]benzothiole-2-carboxamide 3-Chloro-N-(m-tolyl)benzo[g]benzothiophene-2-carboxamide
Wiley ID 1342616