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S-cinnamyl benzylcarbamothioate
SpectraBase Compound ID J9mLTxYKOST
InChI InChI=1S/C17H17NOS/c19-17(18-14-16-10-5-2-6-11-16)20-13-7-12-15-8-3-1-4-9-15/h1-12H,13-14H2,(H,18,19)/b12-7+
InChIKey KFYUTBYLGNVCRV-KPKJPENVSA-N
Mol Weight 283.39 g/mol
Molecular Formula C17H17NOS
Exact Mass 283.103085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1pSYs4l6ABV
Name S-cinnamyl benzylcarbamothioate
Alternate Name(s) N-(phenylmethyl)carbamothioic acid S-[(E)-3-phenylprop-2-enyl] ester S-[(E)-3-phenylprop-2-enyl] N-benzylcarbamothioate S-[(E)-cinnamyl] N-benzylcarbamothioate S-[(E)-3-phenylprop-2-enyl] N-(phenylmethyl)carbamothioate
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Formula C17H17NOS
InChI InChI=1S/C17H17NOS/c19-17(18-14-16-10-5-2-6-11-16)20-13-7-12-15-8-3-1-4-9-15/h1-12H,13-14H2,(H,18,19)/b12-7+
InChIKey KFYUTBYLGNVCRV-KPKJPENVSA-N
Literature Reference DOI 10.1021/jo1006152
Molecular Weight 283.389 g/mol
SMILES N(C(SC\C=C\c1ccccc1)=O)Cc1ccccc1
SPLASH splash10-014i-3910000000-84f1832bf15531ba710c
Source of Spectrum J-75-4615/SMS14-3f
Wiley ID 1751677