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N-(Cyclohexylidene<ethoxycarbonyl>methyl)-thiocarbamic acid, S-methyl ester
SpectraBase Compound ID Lh2DdZ8zWDu
InChI InChI=1S/C12H19NO3S/c1-3-16-11(14)10(13-12(15)17-2)9-7-5-4-6-8-9/h3-8H2,1-2H3,(H,13,15)
InChIKey CWKKGIPUSPJCAL-UHFFFAOYSA-N
Mol Weight 257.35 g/mol
Molecular Formula C12H19NO3S
Exact Mass 257.108565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JdBsZKHL2Ix
Name Acetic acid, cyclohexylidene[[(methylthio)carbonyl]amino]-, ethyl ester
Alternate Name(s) Ethyl cyclohexylidene{[(methylsulfanyl)carbonyl]amino}acetate S-methyl N-[cyclohexylidene(ethoxycarbonyl)methyl]thio-carbamate
CAS Registry Number 126415-80-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19NO3S
InChI InChI=1S/C12H19NO3S/c1-3-16-11(14)10(13-12(15)17-2)9-7-5-4-6-8-9/h3-8H2,1-2H3,(H,13,15)
InChIKey CWKKGIPUSPJCAL-UHFFFAOYSA-N
Molecular Weight 257.348 g/mol
SMILES N(C(C(=O)OCC)=C1CCCCC1)C(=O)SC
SPLASH splash10-0a4i-0920000000-529ec049fac6bfdc8153
Source of Spectrum KC-1989-1583-8
Wiley ID 1260637