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Octanoic acid, 7-methoxy-3,7-dimethyl-, methyl ester
SpectraBase Compound ID F8rrqnEhIwB
InChI InChI=1S/C12H24O3/c1-10(9-11(13)14-4)7-6-8-12(2,3)15-5/h10H,6-9H2,1-5H3
InChIKey SQHGQUUHUFEFJT-UHFFFAOYSA-N
Mol Weight 216.32 g/mol
Molecular Formula C12H24O3
Exact Mass 216.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EIkDr2SGT5i
Name Octanoic acid, 7-methoxy-3,7-dimethyl-, methyl ester
Alternate Name(s) Methyl 7-methoxy-3,7-dimethyloctanoate 7-Methoxy-3,7-dimethyl-caprylic acid methyl ester 7-Methoxy-3,7-dimethyloctanoic acid methyl ester
CAS Registry Number 69687-76-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H24O3
InChI InChI=1S/C12H24O3/c1-10(9-11(13)14-4)7-6-8-12(2,3)15-5/h10H,6-9H2,1-5H3
InChIKey SQHGQUUHUFEFJT-UHFFFAOYSA-N
Molecular Weight 216.321 g/mol
SMILES C(C(OC)(C)C)CCC(CC(OC)=O)C
SPLASH splash10-00di-9100000000-ba1ce5778491ea0e8367
Source of Spectrum W5-17679-0-0
Wiley ID 1215584