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erythro-1,2-dimethyl-2-methoxycarbonylaminoethyl-2'-chloroethylsulfide
SpectraBase Compound ID H30ZdAOWMmw
InChI InChI=1S/C8H16ClNO2S/c1-6(10-8(11)12-3)7(2)13-5-4-9/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKey IIXBJMKWATXZOR-UHFFFAOYSA-N
Mol Weight 225.73 g/mol
Molecular Formula C8H16ClNO2S
Exact Mass 225.059028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5CHVfGI2XJS
Name erythro-1,2-dimethyl-2-methoxycarbonylaminoethyl-2'-chloroethylsulfide
Alternate Name(s) threo-1,2-dimethyl-2-methoxycarbonylaminoethyl-2'-chloroethylsulfide Methyl 2-[(2-chloroethyl)sulfanyl]-1-methylpropylcarbamate
CAS Registry Number 116471-10-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H16ClNO2S
InChI InChI=1S/C8H16ClNO2S/c1-6(10-8(11)12-3)7(2)13-5-4-9/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKey IIXBJMKWATXZOR-UHFFFAOYSA-N
Molecular Weight 225.734 g/mol
SMILES N(C(=O)OC)C(C(SCCCl)C)C
SPLASH splash10-0udi-1900000000-cf13e3185014788a2850
Source of Spectrum F-44-1428-2
Wiley ID 1226135