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Pentanethioic acid, 2,2,4-trimethyl-3-oxo-, S-ethyl ester
SpectraBase Compound ID GhxW3a1nrKp
InChI InChI=1S/C10H18O2S/c1-6-13-9(12)10(4,5)8(11)7(2)3/h7H,6H2,1-5H3
InChIKey RSWIZHNANRJCMY-UHFFFAOYSA-N
Mol Weight 202.31 g/mol
Molecular Formula C10H18O2S
Exact Mass 202.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7IoaMguzO5l
Name Pentanethioic acid, 2,2,4-trimethyl-3-oxo-, S-ethyl ester
CAS Registry Number 73636-30-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O2S
InChI InChI=1S/C10H18O2S/c1-6-13-9(12)10(4,5)8(11)7(2)3/h7H,6H2,1-5H3
InChIKey RSWIZHNANRJCMY-UHFFFAOYSA-N
Molecular Weight 202.312 g/mol
SMILES C(C(=O)C(C)C)(C(=O)SCC)(C)C
SPLASH splash10-00dl-9200000000-5b33496c5f363e48b621
Source of Spectrum J-45-2771-0
Synonyms Ethyl 2,2,4-trimethyl-3-oxothiolvalerate S-ethyl 2,2,4-trimethyl-3-oxopentanethioate
Wiley ID 1199438