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Methyl 3-oxo-2-[(phenylthio)methyl]cyclobutanecarboxylate
SpectraBase Compound ID IEl50JykFVk
InChI InChI=1S/C13H14O3S/c1-16-13(15)10-7-12(14)11(10)8-17-9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3
InChIKey NDIMFDZGLXTOQN-UHFFFAOYSA-N
Mol Weight 250.31 g/mol
Molecular Formula C13H14O3S
Exact Mass 250.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8VMPFGcRpP1
Name Methyl 3-oxo-2-[(phenylthio)methyl]cyclobutanecarboxylate
CAS Registry Number 112139-55-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O3S
InChI InChI=1S/C13H14O3S/c1-16-13(15)10-7-12(14)11(10)8-17-9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3
InChIKey NDIMFDZGLXTOQN-UHFFFAOYSA-N
Molecular Weight 250.312 g/mol
SMILES C1(C(C(=O)OC)CC1=O)CSc1ccccc1
SPLASH splash10-03di-3900000000-666bbe163bfb105d71f3
Source of Spectrum J-53-616-9
Synonyms Methyl 3-oxo-2-[(phenylsulfanyl)methyl]cyclobutanecarboxylate
Wiley ID 1253052