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(E)-S-(3-(4-bromophenyl)allyl) butylcarbamothioate
SpectraBase Compound ID 55eYPGAaVW2
InChI InChI=1S/C14H18BrNOS/c1-2-3-10-16-14(17)18-11-4-5-12-6-8-13(15)9-7-12/h4-9H,2-3,10-11H2,1H3,(H,16,17)/b5-4+
InChIKey POKGSCZMWHQEHW-SNAWJCMRSA-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 4yORJoWNf4D
Name (E)-S-(3-(4-bromophenyl)allyl) butylcarbamothioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18BrNOS
InChI InChI=1S/C14H18BrNOS/c1-2-3-10-16-14(17)18-11-4-5-12-6-8-13(15)9-7-12/h4-9H,2-3,10-11H2,1H3,(H,16,17)/b5-4+
InChIKey POKGSCZMWHQEHW-SNAWJCMRSA-N
Literature Reference DOI 10.1021/jo1006152
Molecular Weight 328.268 g/mol
SMILES N(C(SC\C=C\c1ccc(cc1)Br)=O)CCCC
SPLASH splash10-014l-5911000000-c936fa06b605422dcd60
Source of Spectrum J-75-4615/SMS12-3c
Synonyms N-butylcarbamothioic acid S-[(E)-3-(4-bromophenyl)prop-2-enyl] ester S-[(E)-3-(4-bromophenyl)allyl] N-butylcarbamothioate S-[(E)-3-(4-bromophenyl)prop-2-enyl] N-butylcarbamothioate
Wiley ID 1751674