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Butanethioic acid, 3-methyl-, S-(1-methylpropyl) ester
SpectraBase Compound ID 65jqqjh2Of5
InChI InChI=1S/C9H18OS/c1-5-8(4)11-9(10)6-7(2)3/h7-8H,5-6H2,1-4H3
InChIKey MQAVHZCNCJTJJP-UHFFFAOYSA-N
Mol Weight 174.3 g/mol
Molecular Formula C9H18OS
Exact Mass 174.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Giu4nU7hLw
Name Butyrate
CAS Registry Number 2432-91-9
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 174.107836373 u
Formula C9H18OS
InChI InChI=1S/C9H18OS/c1-5-8(4)11-9(10)6-7(2)3/h7-8H,5-6H2,1-4H3
InChIKey MQAVHZCNCJTJJP-UHFFFAOYSA-N
Molecular Weight 174.302 g/mol
Number of Peaks 50
RI1 1148
RI2 825
SMILES C(=O)(SC(CC)C)CC(C)C
SPLASH splash10-0a4r-9000000000-679e4c3c23d8a483f382
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Butanethioic acid, 3-methyl-, S-(1-methylpropyl) ester
Wiley ID LM_FFNSC3_1917