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(1-phenylsulfanylcyclopropyl) 2,2-dimethylpropanoate
SpectraBase Compound ID CFzEWbEktB0
InChI InChI=1S/C14H18O2S/c1-13(2,3)12(15)16-14(9-10-14)17-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKey MJSJXYYCGICRQH-UHFFFAOYSA-N
Mol Weight 250.36 g/mol
Molecular Formula C14H18O2S
Exact Mass 250.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CFDFyKOUCtj
Name (1-phenylsulfanylcyclopropyl) 2,2-dimethylpropanoate
Alternate Name(s) 1-(Phenylsulfanyl)cyclopropyl pivalate 2,2-Dimethylpropanoic acid [1-(phenylthio)cyclopropyl] ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O2S
InChI InChI=1S/C14H18O2S/c1-13(2,3)12(15)16-14(9-10-14)17-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKey MJSJXYYCGICRQH-UHFFFAOYSA-N
Molecular Weight 250.356 g/mol
SMILES C1(OC(C(C)(C)C)=O)(CC1)Sc1ccccc1
SPLASH splash10-0a4i-9600000000-10af2a671e95d323ed4c
Source of Spectrum F-49-6657-3
Wiley ID 1253256