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n-propyl acetothioacetate
SpectraBase Compound ID Iz4AI5YsnlJ
InChI InChI=1S/C7H12O2S/c1-3-4-9-7(10)5-6(2)8/h3-5H2,1-2H3
InChIKey JURJMRGRUVCRER-UHFFFAOYSA-N
Mol Weight 160.23 g/mol
Molecular Formula C7H12O2S
Exact Mass 160.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4sJEAcceMS
Name n-propyl acetothioacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O2S
InChI InChI=1S/C7H12O2S/c1-3-4-9-7(10)5-6(2)8/h3-5H2,1-2H3
InChIKey JURJMRGRUVCRER-UHFFFAOYSA-N
Molecular Weight 160.231 g/mol
SMILES C(CC(=O)C)(OCCC)=S
SPLASH splash10-000f-9100000000-c67a066a3610dced3dd1
Source of Spectrum JX-2015-6-5595
Synonyms O-propyl 3-oxobutanethioate 3-Oxobutanethioic acid O-propyl ester O-propyl 3-oxidanylidenebutanethioate
Wiley ID 1729171