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4-(5,5-Dimethyl-6-oxo-cyclohex-1-enyl)-3-hydroxymethylbutyric acid, methyl ester
SpectraBase Compound ID AQabR3tzocS
InChI InChI=1S/C14H22O4/c1-14(2)6-4-5-11(13(14)17)7-10(9-15)8-12(16)18-3/h5,10,15H,4,6-9H2,1-3H3
InChIKey CRXDTDZMTUBFOB-UHFFFAOYSA-N
Mol Weight 254.33 g/mol
Molecular Formula C14H22O4
Exact Mass 254.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8xx340wh6PO
Name 4-(5,5-Dimethyl-6-oxo-cyclohex-1-enyl)-3-hydroxymethylbutyric acid, methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O4
InChI InChI=1S/C14H22O4/c1-14(2)6-4-5-11(13(14)17)7-10(9-15)8-12(16)18-3/h5,10,15H,4,6-9H2,1-3H3
InChIKey CRXDTDZMTUBFOB-UHFFFAOYSA-N
Molecular Weight 254.326 g/mol
SMILES OCC(CC1=CCCC(C1=O)(C)C)CC(=O)OC
SPLASH splash10-0006-9610000000-d733712e0399cc2f0a7f
Synonyms 3-[(5,5-dimethyl-6-oxo-1-cyclohexenyl)methyl]-4-hydroxybutanoic acid methyl ester 4-Hydroxy-3-[(6-keto-5,5-dimethyl-cyclohexen-1-yl)methyl]butyric acid methyl ester Methyl 3-[(5,5-dimethyl-6-oxidanylidene-cyclohexen-1-yl)methyl]-4-oxidanyl-butanoate Methyl 3-[(5,5-dimethyl-6-oxo-cyclohexen-1-yl)methyl]-4-hydroxy-butanoate Methyl 4-(5,5-dimethyl-6-oxo-1-cyclohexen-1-yl)-3-(hydroxymethyl)butanoate
Wiley ID 1475615