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Angelic acid-(3-formyl-2,4,4-trimethyl-2,5-cyclohexadien-1-ylester)
SpectraBase Compound ID EzJfqrR1NV3
InChI InChI=1S/C15H20O3/c1-6-10(2)14(17)18-13-7-8-15(4,5)12(9-16)11(13)3/h6-9,13H,1-5H3/b10-6-
InChIKey SQGQFWUDVORSFE-POHAHGRESA-N
Mol Weight 248.32 g/mol
Molecular Formula C15H20O3
Exact Mass 248.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7cmyNubWQfr
Name Angelic acid-(3-formyl-2,4,4-trimethyl-2,5-cyclohexadien-1-ylester)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O3
InChI InChI=1S/C15H20O3/c1-6-10(2)14(17)18-13-7-8-15(4,5)12(9-16)11(13)3/h6-9,13H,1-5H3/b10-6-
InChIKey SQGQFWUDVORSFE-POHAHGRESA-N
Literature Reference DOI 10.1002/cber.19751080842
Molecular Weight 248.322 g/mol
SMILES C(\C(C)=C/C)(OC1C=CC(C(=C1C)C=O)(C)C)=O
SPLASH splash10-001i-9510000000-5a7f2a737b7967356d1a
Source of Spectrum K-108-2823-5
Synonyms 3-formyl-2,4,4-trimethylcyclohexa-2,5-dien-1-yl (Z)-2-methylbut-2-enoate
Wiley ID 1794032