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1-Acetyl-4,4,5-trimethyl-7-hydroxymethyl-3-oxabicyclo[3.2.0]hept-6-en-2-one

View entire compound with spectra: 1 MS (GC)

1-Acetyl-4,4,5-trimethyl-7-hydroxymethyl-3-oxabicyclo[3.2.0]hept-6-en-2-one
SpectraBase Compound ID 8IlPt5GPUM
InChI InChI=1S/C12H16O4/c1-7(14)12-8(6-13)5-11(12,4)10(2,3)16-9(12)15/h5,13H,6H2,1-4H3
InChIKey ZCBXLDYQLVEQAM-UHFFFAOYSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FxcTqfJcGkK
Name 1-Acetyl-4,4,5-trimethyl-7-hydroxymethyl-3-oxabicyclo[3.2.0]hept-6-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-7(14)12-8(6-13)5-11(12,4)10(2,3)16-9(12)15/h5,13H,6H2,1-4H3
InChIKey ZCBXLDYQLVEQAM-UHFFFAOYSA-N
Molecular Weight 224.256 g/mol
SMILES OCC=1C2(C(C(C)(C)OC2=O)(C)C1)C(=O)C
SPLASH splash10-0a4i-1900000000-9fdab50111207bd27fd9
Source of Spectrum O1-25-478-6
Synonyms 1-Acetyl-3,4,4-trimethyl-7-hydroxymethyl-3-oxabicyclo[3.2.0]hept-6-en-2-one 1-Acetyl-7-(hydroxymethyl)-4,4,5-trimethyl-3-oxabicyclo[3.2.0]hept-6-en-2-one
Wiley ID 1536633