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N-phenyl-3,4-dihydro-2(1H)-isoquinolinecarbothioamide
SpectraBase Compound ID 3lsRvPgVam5
InChI InChI=1S/C16H16N2S/c19-16(17-15-8-2-1-3-9-15)18-11-10-13-6-4-5-7-14(13)12-18/h1-9H,10-12H2,(H,17,19)
InChIKey FAPOHPPTCHNTGU-UHFFFAOYSA-N
Mol Weight 268.38 g/mol
Molecular Formula C16H16N2S
Exact Mass 268.10342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6zxraMH464w
Name 3,4-Dihydro-1H-isoquinoline-2-carbothioic acid phenylamide
Alternate Name(s) N-phenyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N2S
InChI InChI=1S/C16H16N2S/c19-16(17-15-8-2-1-3-9-15)18-11-10-13-6-4-5-7-14(13)12-18/h1-9H,10-12H2,(H,17,19)
InChIKey FAPOHPPTCHNTGU-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol900958z
Molecular Weight 268.378 g/mol
SMILES N(c1ccccc1)C(N1Cc2c(CC1)cccc2)=S
SPLASH splash10-014i-3940000000-e9aa8135c906669ca325
Source of Spectrum A1-11-2792/SMS13-2r
Wiley ID 1756885