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(S)-S-(1-phenylallyl) butylcarbamothioate
SpectraBase Compound ID FhvSl0NNOVf
InChI InChI=1S/C14H19NOS/c1-3-5-11-15-14(16)17-13(4-2)12-9-7-6-8-10-12/h4,6-10,13H,2-3,5,11H2,1H3,(H,15,16)/t13-/m0/s1
InChIKey KLXKWABGKKLEIF-ZDUSSCGKSA-N
Mol Weight 249.37 g/mol
Molecular Formula C14H19NOS
Exact Mass 249.118735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7bxw3sA9bi3
Name (S)-S-(1-phenylallyl) butylcarbamothioate
Alternate Name(s) N-butylcarbamothioic acid S-[(1S)-1-phenylprop-2-enyl] ester S-[(1S)-1-phenylallyl] N-butylcarbamothioate S-[(1S)-1-phenylprop-2-enyl] N-butylcarbamothioate
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Formula C14H19NOS
InChI InChI=1S/C14H19NOS/c1-3-5-11-15-14(16)17-13(4-2)12-9-7-6-8-10-12/h4,6-10,13H,2-3,5,11H2,1H3,(H,15,16)/t13-/m0/s1
InChIKey KLXKWABGKKLEIF-ZDUSSCGKSA-N
Literature Reference DOI 10.1021/jo1006152
Molecular Weight 249.372 g/mol
SMILES N(C(S[C@](c1ccccc1)(C=C)[H])=O)CCCC
SPLASH splash10-014i-0900000000-a44fe4797773d7ab470d
Source of Spectrum J-75-4617-2a
Wiley ID 1746574