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(E)-S-(3-(naphthalen-1-yl)allyl) butylcarbamothioate
SpectraBase Compound ID K0dynz1zHiW
InChI InChI=1S/C18H21NOS/c1-2-3-13-19-18(20)21-14-7-11-16-10-6-9-15-8-4-5-12-17(15)16/h4-12H,2-3,13-14H2,1H3,(H,19,20)/b11-7+
InChIKey DOMNJMGIEZGNRK-YRNVUSSQSA-N
Mol Weight 299.43 g/mol
Molecular Formula C18H21NOS
Exact Mass 299.134385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7tPsFBLWJZj
Name (E)-S-(3-(naphthalen-1-yl)allyl) butylcarbamothioate
Alternate Name(s) N-butylcarbamothioic acid S-[(E)-3-(1-naphthalenyl)prop-2-enyl] ester S-[(E)-3-(1-naphthyl)allyl] N-butylcarbamothioate S-[(E)-3-naphthalen-1-ylprop-2-enyl] N-butylcarbamothioate
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Formula C18H21NOS
InChI InChI=1S/C18H21NOS/c1-2-3-13-19-18(20)21-14-7-11-16-10-6-9-15-8-4-5-12-17(15)16/h4-12H,2-3,13-14H2,1H3,(H,19,20)/b11-7+
InChIKey DOMNJMGIEZGNRK-YRNVUSSQSA-N
Literature Reference DOI 10.1021/jo1006152
Molecular Weight 299.432 g/mol
SMILES N(C(SC\C=C\c1cccc2ccccc12)=O)CCCC
SPLASH splash10-014i-0930000000-f6292f46419e92ef17ed
Source of Spectrum J-75-4615/SMS17-3i
Wiley ID 1751680