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Maltol
SpectraBase Compound ID KyMUF8PJpdM
InChI InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3
InChIKey XPCTZQVDEJYUGT-UHFFFAOYSA-N
Mol Weight 126.11 g/mol
Molecular Formula C6H6O3
Exact Mass 126.031694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LhFYqKQBQtW
Name Maltol
Source of Sample SAFC Cat.no. W265608
CAS Registry Number 118-71-8
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 126.031694050 u
Formula C6H6O3
InChI InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3
InChIKey XPCTZQVDEJYUGT-UHFFFAOYSA-N
Molecular Weight 126.111 g/mol
Number of Peaks 50
RI1 1108
RI2 784
RI3 1361
RI4 1323
RI5 1081
SMILES OC=1C(C=COC1C)=O
SPLASH splash10-004i-9400000000-46be1b25cc71a2f75e6e
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 4H-Pyran-4-one, 3-hydroxy-2-methyl-
Wiley ID LM_FFNSC3_1628