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(E)-S-(3-(4-(trifluoromethyl)phenyl)allyl) butylcarbamothioate
SpectraBase Compound ID I1J6At3vAEQ
InChI InChI=1S/C15H18F3NOS/c1-2-3-10-19-14(20)21-11-4-5-12-6-8-13(9-7-12)15(16,17)18/h4-9H,2-3,10-11H2,1H3,(H,19,20)/b5-4+
InChIKey ZIXMBCLIMWTJJF-SNAWJCMRSA-N
Mol Weight 317.37 g/mol
Molecular Formula C15H18F3NOS
Exact Mass 317.10612 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ajb1DdfDXap
Name (E)-S-(3-(4-(trifluoromethyl)phenyl)allyl) butylcarbamothioate
Alternate Name(s) N-butylcarbamothioic acid S-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] ester S-[(E)-3-[4-(trifluoromethyl)phenyl]allyl] N-butylcarbamothioate S-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] N-butylcarbamothioate
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Formula C15H18F3NOS
InChI InChI=1S/C15H18F3NOS/c1-2-3-10-19-14(20)21-11-4-5-12-6-8-13(9-7-12)15(16,17)18/h4-9H,2-3,10-11H2,1H3,(H,19,20)/b5-4+
InChIKey ZIXMBCLIMWTJJF-SNAWJCMRSA-N
Literature Reference DOI 10.1021/jo1006152
Molecular Weight 317.370 g/mol
SMILES N(C(SC\C=C\c1ccc(cc1)C(F)(F)F)=O)CCCC
SPLASH splash10-00kr-4911000000-43aa1cf6e98685f3448b
Source of Spectrum J-75-4615/SMS11-3b
Wiley ID 1751673