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S-(4-allyl-2-methoxyphenyl) dimethylcarbamothioate
SpectraBase Compound ID EdOKqa8fMBx
InChI InChI=1S/C13H17NO2S/c1-5-6-10-7-8-12(11(9-10)16-4)17-13(15)14(2)3/h5,7-9H,1,6H2,2-4H3
InChIKey DLNKQLWEXFGZEP-UHFFFAOYSA-N
Mol Weight 251.34 g/mol
Molecular Formula C13H17NO2S
Exact Mass 251.098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2L3z406gUSs
Name S-(4-allyl-2-methoxyphenyl) dimethylcarbamothioate
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO2S
InChI InChI=1S/C13H17NO2S/c1-5-6-10-7-8-12(11(9-10)16-4)17-13(15)14(2)3/h5,7-9H,1,6H2,2-4H3
InChIKey DLNKQLWEXFGZEP-UHFFFAOYSA-N
Instrument Name Bruker MS320 Triple quad
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202101178
Molecular Weight 251.344 g/mol
SMILES C(Cc1cc(c(cc1)SC(N(C)C)=O)OC)=C
SPLASH splash10-00di-9010000000-36a5f1b10da39fd14931
Source of Spectrum ASC-363-SM8-1h
Wiley ID 1851367