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4-Acetoxy-2,5-dimethyl-3(2H)furanone
SpectraBase Compound ID 7sSGwX6uME
InChI InChI=1S/C8H10O4/c1-4-7(10)8(5(2)11-4)12-6(3)9/h4H,1-3H3
InChIKey VPKIUOQJQJVLRW-UHFFFAOYSA-N
Mol Weight 170.16 g/mol
Molecular Formula C8H10O4
Exact Mass 170.057909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2UKsZA9RUqn
Name Furanone <4-acetoxy-, 2,5-dimethyl-, 3(2H)->
Source of Sample SAFC Cat.no. W379700
CAS Registry Number 4166-20-5
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 170.057908798 u
Formula C8H10O4
InChI InChI=1S/C8H10O4/c1-4-7(10)8(5(2)11-4)12-6(3)9/h4H,1-3H3
InChIKey VPKIUOQJQJVLRW-UHFFFAOYSA-N
Molecular Weight 170.164 g/mol
Number of Peaks 49
RI1 1234
RI2 912
RI3 1363
RI4 1325
RI5 1200
SMILES C1(C(=C(OC1C)C)OC(C)=O)=O
SPLASH splash10-000f-9200000000-6ba8e2f9b45b763cb148
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, 4-(acetyloxy)-2,5-dimethyl-
Wiley ID LM_FFNSC3_2