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Pentanethioic acid, 2-acetyl-3-oxo-, S-ethyl ester
SpectraBase Compound ID FnV2AlOqfjw
InChI InChI=1S/C9H14O3S/c1-4-7(11)8(6(3)10)9(12)13-5-2/h8H,4-5H2,1-3H3
InChIKey DGTAVKOADPNJPL-UHFFFAOYSA-N
Mol Weight 202.27 g/mol
Molecular Formula C9H14O3S
Exact Mass 202.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FzxRjF1tnpT
Name Pentanethioic acid, 2-acetyl-3-oxo-, S-ethyl ester
CAS Registry Number 24761-70-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O3S
InChI InChI=1S/C9H14O3S/c1-4-7(11)8(6(3)10)9(12)13-5-2/h8H,4-5H2,1-3H3
InChIKey DGTAVKOADPNJPL-UHFFFAOYSA-N
Molecular Weight 202.268 g/mol
SMILES C(C(=O)SCC)(C(=O)C)C(=O)CC
SPLASH splash10-052o-9200000000-6c5fbc1ab3c089c67a22
Source of Spectrum J-45-2771-0
Synonyms Ethyl 2-aceto-3-oxothiolvalerate S-ethyl 2-acetyl-3-oxopentanethioate Valeric acid, 2-acetyl-3-oxothio-, S-ethyl ester
Wiley ID 1199307