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S-(2,5-Dihydroxyphenyl) cyclohexylthiocarbamate
SpectraBase Compound ID 9Z6DPnVXTs
InChI InChI=1S/C13H17NO3S/c15-10-6-7-11(16)12(8-10)18-13(17)14-9-4-2-1-3-5-9/h6-9,15-16H,1-5H2,(H,14,17)
InChIKey VXKQGLFKGFUPPP-UHFFFAOYSA-N
Mol Weight 267.34 g/mol
Molecular Formula C13H17NO3S
Exact Mass 267.092915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8TQGrmFZBmT
Name S-(2,5-Dihydroxyphenyl) cyclohexylthiocarbamate
CAS Registry Number 345259-05-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO3S
InChI InChI=1S/C13H17NO3S/c15-10-6-7-11(16)12(8-10)18-13(17)14-9-4-2-1-3-5-9/h6-9,15-16H,1-5H2,(H,14,17)
InChIKey VXKQGLFKGFUPPP-UHFFFAOYSA-N
Molecular Weight 267.343 g/mol
SMILES Oc1cc(c(cc1)O)SC(NC1CCCCC1)=O
SPLASH splash10-0006-9600000000-d04551eaa3547b181d85
Source of Spectrum AD-0-2532-0
Synonyms N-cyclohexylcarbamothioic acid S-(2,5-dihydroxyphenyl) ester N-cyclohexylthiocarbamic acid S-(2,5-dihydroxyphenyl) ester S-(2,5-dihydroxyphenyl) N-cyclohexylcarbamothioate Thiocarbamic acid, N-cyclohexyl-, S-(2,5-dihydroxyphenyl) ester
Wiley ID 1421613