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Ethyl 3-acetyl-3-phenylthiobutanoate
SpectraBase Compound ID F6SrbRFtSMN
InChI InChI=1S/C14H18O3S/c1-4-17-13(16)10-14(3,11(2)15)18-12-8-6-5-7-9-12/h5-9H,4,10H2,1-3H3
InChIKey VJFLDOBKGHNHMV-UHFFFAOYSA-N
Mol Weight 266.35 g/mol
Molecular Formula C14H18O3S
Exact Mass 266.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ttX2GeQuGs
Name Ethyl 3-acetyl-3-phenylthiobutanoate
Alternate Name(s) Ethyl 3-methyl-4-oxo-3-(phenylsulfanyl)pentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O3S
InChI InChI=1S/C14H18O3S/c1-4-17-13(16)10-14(3,11(2)15)18-12-8-6-5-7-9-12/h5-9H,4,10H2,1-3H3
InChIKey VJFLDOBKGHNHMV-UHFFFAOYSA-N
Molecular Weight 266.355 g/mol
SMILES C(CC(=O)OCC)(Sc1ccccc1)(C(=O)C)C
SPLASH splash10-001i-9100000000-4e2355b006b2f7cc34fe
Source of Spectrum F-54-2806-13
Wiley ID 806378