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Methyl 2-[1-(benzylthio)cyclopropyl]-2-chloroacetate
SpectraBase Compound ID JDfMksLtVQ7
InChI InChI=1S/C13H15ClO2S/c1-16-12(15)11(14)13(7-8-13)17-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChIKey QKQJGOZZWVXPAC-UHFFFAOYSA-N
Mol Weight 270.77 g/mol
Molecular Formula C13H15ClO2S
Exact Mass 270.048129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AHY7DtRPIip
Name Methyl 2-[1-(benzylthio)cyclopropyl]-2-chloroacetate
Alternate Name(s) Methyl[1-(benzylsulfanyl)cyclopropyl](chloro)acetate
CAS Registry Number 139132-17-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15ClO2S
InChI InChI=1S/C13H15ClO2S/c1-16-12(15)11(14)13(7-8-13)17-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChIKey QKQJGOZZWVXPAC-UHFFFAOYSA-N
Molecular Weight 270.774 g/mol
SMILES C1(C(C(=O)OC)Cl)(CC1)SCc1ccccc1
SPLASH splash10-0006-9310000000-4003afbd4b4d6654ff92
Source of Spectrum K-125-874-14
Wiley ID 1273825