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2,5-Dimethyl-3(2H)furanone
SpectraBase Compound ID 81wYIKOI1RG
InChI InChI=1S/C6H8O2/c1-4-3-6(7)5(2)8-4/h3,5H,1-2H3
InChIKey ASOSVCXGWPDUGN-UHFFFAOYSA-N
Mol Weight 112.13 g/mol
Molecular Formula C6H8O2
Exact Mass 112.052429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F8bdJN2UaV8
Name Furan-3-one <2,3-dihydro-, 2,5-dimethyl->
CAS Registry Number 14400-67-0
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 112.052429496 u
Formula C6H8O2
InChI InChI=1S/C6H8O2/c1-4-3-6(7)5(2)8-4/h3,5H,1-2H3
InChIKey ASOSVCXGWPDUGN-UHFFFAOYSA-N
Molecular Weight 112.128 g/mol
Number of Peaks 48
RI1 944
RI2 621
SMILES C=1C(C(C)OC1C)=O
SPLASH splash10-0296-9200000000-084c0ee93753f3b61488
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 3(2H)-Furanone, 2,5-dimethyl-
Wiley ID LM_FFNSC3_1915