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1-Mercapto-2-propanone
SpectraBase Compound ID Buve2G87YCF
InChI InChI=1S/C3H6OS/c1-3(4)2-5/h5H,2H2,1H3
InChIKey USVCRBGYQRVTNK-UHFFFAOYSA-N
Mol Weight 90.14 g/mol
Molecular Formula C3H6OS
Exact Mass 90.013936 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GnAFQ3Qmiq0
Name Mercaptoacetone
CAS Registry Number 24653-75-6
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 90.013935986 u
Formula C3H6OS
InChI InChI=1S/C3H6OS/c1-3(4)2-5/h5H,2H2,1H3
InChIKey USVCRBGYQRVTNK-UHFFFAOYSA-N
Molecular Weight 90.140 g/mol
Number of Peaks 47
RI1 791
RI2 448
RI3 755
RI4 706
RI5 747
SMILES SCC(C)=O
SPLASH splash10-0006-9000000000-c2f4d77dc8d5b114da3a
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 2-Propanone, 1-mercapto-
Wiley ID LM_FFNSC3_3213