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2-Phenyl-2-(p-tolylsulfonyl)vinyl N,N-(pentamethylene)-dithiocarbamate
SpectraBase Compound ID Kvz0YvlGaky
InChI InChI=1S/C21H23NO2S3/c1-17-10-12-19(13-11-17)27(23,24)20(18-8-4-2-5-9-18)16-26-21(25)22-14-6-3-7-15-22/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3/b20-16+
InChIKey CNBRPOOGUOOVAS-CAPFRKAQSA-N
Mol Weight 417.6 g/mol
Molecular Formula C21H23NO2S3
Exact Mass 417.089093 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 90JbhPLtE7s
Name 2-Phenyl-2-(p-tolylsulfonyl)vinyl N,N-(pentamethylene)-dithiocarbamate
Comments Less than 3 mono-isotopic peaks
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Formula C21H23NO2S3
InChI InChI=1S/C21H23NO2S3/c1-17-10-12-19(13-11-17)27(23,24)20(18-8-4-2-5-9-18)16-26-21(25)22-14-6-3-7-15-22/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3/b20-16+
InChIKey CNBRPOOGUOOVAS-CAPFRKAQSA-N
Molecular Weight 417.600 g/mol
SMILES C(S\C=C/(S(c1ccc(cc1)C)(=O)=O)c1ccccc1)(N1CCCCC1)=S
SPLASH splash10-01t9-0960000000-3747bc8b1443a67f833e
Source of Spectrum SK-29-2872-3
Synonyms (E)-2-[(4-methylphenyl)sulfonyl]-2-phenylethenyl 1-piperidinecarbodithioate
Wiley ID 880721