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(E)-S-(3-(p-tolyl)allyl) benzylcarbamothioate
SpectraBase Compound ID H6tNWYkpYzb
InChI InChI=1S/C18H19NOS/c1-15-9-11-16(12-10-15)8-5-13-21-18(20)19-14-17-6-3-2-4-7-17/h2-12H,13-14H2,1H3,(H,19,20)/b8-5+
InChIKey DLEGUVXEDOXHEK-VMPITWQZSA-N
Mol Weight 297.42 g/mol
Molecular Formula C18H19NOS
Exact Mass 297.118735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JLCV8nVUuTt
Name (E)-S-(3-(p-tolyl)allyl) benzylcarbamothioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19NOS
InChI InChI=1S/C18H19NOS/c1-15-9-11-16(12-10-15)8-5-13-21-18(20)19-14-17-6-3-2-4-7-17/h2-12H,13-14H2,1H3,(H,19,20)/b8-5+
InChIKey DLEGUVXEDOXHEK-VMPITWQZSA-N
Literature Reference DOI 10.1021/jo1006152
Molecular Weight 297.416 g/mol
SMILES N(C(SC\C=C\c1ccc(cc1)C)=O)Cc1ccccc1
SPLASH splash10-001l-8900000000-9e0b01fc419bfd54246d
Source of Spectrum J-75-4615/SMS15-3g
Synonyms N-(phenylmethyl)carbamothioic acid S-[(E)-3-(4-methylphenyl)prop-2-enyl] ester S-[(E)-3-(4-methylphenyl)prop-2-enyl] N-benzylcarbamothioate S-[(E)-3-(p-tolyl)allyl] N-benzylcarbamothioate S-[(E)-3-(4-methylphenyl)prop-2-enyl] N-(phenylmethyl)carbamothioate
Wiley ID 1751678