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3-hydroxy-4,5-dimethyl-5H-furan-2-one
SpectraBase Compound ID GvK96OjUmXT
InChI InChI=1S/C6H8O3/c1-3-4(2)9-6(8)5(3)7/h4,7H,1-2H3
InChIKey UNYNVICDCJHOPO-UHFFFAOYSA-N
Mol Weight 128.13 g/mol
Molecular Formula C6H8O3
Exact Mass 128.047344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F5uEO1hx76D
Name Sotolone
Source of Sample SAFC Cat.no. W363405
CAS Registry Number 28664-35-9
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 128.047344115 u
Formula C6H8O3
InChI InChI=1S/C6H8O3/c1-3-4(2)9-6(8)5(3)7/h4,7H,1-2H3
InChIKey UNYNVICDCJHOPO-UHFFFAOYSA-N
Molecular Weight 128.127 g/mol
Number of Peaks 44
RI1 1115
RI2 791
SMILES OC=1C(OC(C1C)C)=O
SPLASH splash10-0a5c-9000000000-d36904b745bfb551678c
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(5H)-Furanone, 3-hydroxy-4,5-dimethyl-
Wiley ID LM_FFNSC3_323