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3,5,5-Trimethyl-2(5H)-furanone
SpectraBase Compound ID Jabvuzt6cCC
InChI InChI=1S/C7H10O2/c1-5-4-7(2,3)9-6(5)8/h4H,1-3H3
InChIKey OAVLYQLCBORARJ-UHFFFAOYSA-N
Mol Weight 126.15 g/mol
Molecular Formula C7H10O2
Exact Mass 126.06808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EvRXCza5CUs
Name 3,5,5-Trimethyl-2(5H)-furanone
CAS Registry Number 50598-50-0
Comments Less than 3 mono-isotopic peaks
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Formula C7H10O2
InChI InChI=1S/C7H10O2/c1-5-4-7(2,3)9-6(5)8/h4H,1-3H3
InChIKey OAVLYQLCBORARJ-UHFFFAOYSA-N
Molecular Weight 126.155 g/mol
SMILES C1(OC(C=C1C)(C)C)=O
SPLASH splash10-0006-9000000000-c8bf2189d5c91b1c3d4a
Source of Spectrum SO-0-724-6
Synonyms 2(5H)-Furanone, 3,5,5-trimethyl- 2,4,4-Trimethyl-2-butenolide 3,5,5-trimethyl-2-furanone 3,5,5-trimethylfuran-2-one
Wiley ID 864374