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Octanoic acid, 7-hydroxy-3,7-dimethyl-, methyl ester
SpectraBase Compound ID C9waJX9aemQ
InChI InChI=1S/C11H22O3/c1-9(8-10(12)14-4)6-5-7-11(2,3)13/h9,13H,5-8H2,1-4H3
InChIKey ZACBVWZKNMSLMF-UHFFFAOYSA-N
Mol Weight 202.29 g/mol
Molecular Formula C11H22O3
Exact Mass 202.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JgZ7SYg3MOe
Name Octanoic acid, 7-hydroxy-3,7-dimethyl-, methyl ester
CAS Registry Number 69653-76-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H22O3
InChI InChI=1S/C11H22O3/c1-9(8-10(12)14-4)6-5-7-11(2,3)13/h9,13H,5-8H2,1-4H3
InChIKey ZACBVWZKNMSLMF-UHFFFAOYSA-N
Molecular Weight 202.294 g/mol
SMILES OC(CCCC(CC(OC)=O)C)(C)C
SPLASH splash10-0pb9-9800000000-6c6f1ca462d254cea14d
Source of Spectrum W5-15681-0-0
Synonyms Methyl 7-hydroxy-3,7-dimethyloctanoate 7-Hydroxy-3,7-dimethyl-caprylic acid methyl ester 7-Hydroxy-3,7-dimethyloctanoic acid methyl ester Methyl 3,7-dimethyl-7-oxidanyl-octanoate
Wiley ID 1199726