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(S)-S-(1-(4-bromophenyl)allyl) butylcarbamothioate
SpectraBase Compound ID FyjZA5v9N7n
InChI InChI=1S/C14H18BrNOS/c1-3-5-10-16-14(17)18-13(4-2)11-6-8-12(15)9-7-11/h4,6-9,13H,2-3,5,10H2,1H3,(H,16,17)/t13-/m0/s1
InChIKey BDRKNQKJSNVALI-ZDUSSCGKSA-N
Mol Weight 328.27 g/mol
Molecular Formula C14H18BrNOS
Exact Mass 327.029248 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32pr8K51h1s
Name (S)-S-(1-(4-bromophenyl)allyl) butylcarbamothioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18BrNOS
InChI InChI=1S/C14H18BrNOS/c1-3-5-10-16-14(17)18-13(4-2)11-6-8-12(15)9-7-11/h4,6-9,13H,2-3,5,10H2,1H3,(H,16,17)/t13-/m0/s1
InChIKey BDRKNQKJSNVALI-ZDUSSCGKSA-N
Literature Reference DOI 10.1021/jo1006152
Molecular Weight 328.268 g/mol
SMILES N(C(S[C@](c1ccc(cc1)Br)(C=C)[H])=O)CCCC
SPLASH splash10-014i-0930000000-45ef6e7dcd572f0593aa
Source of Spectrum J-75-4615/SMS11-(S)_2c
Synonyms N-butylcarbamothioic acid S-[(1S)-1-(4-bromophenyl)prop-2-enyl] ester S-[(1S)-1-(4-bromophenyl)allyl] N-butylcarbamothioate S-[(1S)-1-(4-bromophenyl)prop-2-enyl] N-butylcarbamothioate
Wiley ID 1751653