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N,N-Dimethylthiocarbamic acid, 3-phenylbut-2-enyl ester
SpectraBase Compound ID EOM0MGdPZro
InChI InChI=1S/C13H17NOS/c1-11(12-7-5-4-6-8-12)9-10-16-13(15)14(2)3/h4-9H,10H2,1-3H3/b11-9+
InChIKey XQQGZDPEBYZWPQ-PKNBQFBNSA-N
Mol Weight 235.34 g/mol
Molecular Formula C13H17NOS
Exact Mass 235.103085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C3xz2ZuvBn4
Name N,N-Dimethylthiocarbamic acid, 3-phenylbut-2-enyl ester
Alternate Name(s) N,N-dimethylcarbamothioic acid S-[(E)-3-phenylbut-2-enyl] ester S-[(E)-3-phenylbut-2-enyl] N,N-dimethylcarbamothioate
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Formula C13H17NOS
InChI InChI=1S/C13H17NOS/c1-11(12-7-5-4-6-8-12)9-10-16-13(15)14(2)3/h4-9H,10H2,1-3H3/b11-9+
InChIKey XQQGZDPEBYZWPQ-PKNBQFBNSA-N
Molecular Weight 235.345 g/mol
SMILES c1(ccccc1)\C(=C\CSC(=O)N(C)C)C
SPLASH splash10-001i-7900000000-898863119cba5909492e
Wiley ID 1477823