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Butanoic acid, 2-methyl-, 3,7-dimethyl-6-octenyl ester
SpectraBase Compound ID 1ZTuaI4yuPs
InChI InChI=1S/C15H28O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h8,13-14H,6-7,9-11H2,1-5H3
InChIKey VLUIZCDJJSDSKM-UHFFFAOYSA-N
Mol Weight 240.39 g/mol
Molecular Formula C15H28O2
Exact Mass 240.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I9sqohkrO4G
Name Butanoic acid, 2-methyl-, 3,7-dimethyl-6-octenyl ester
CAS Registry Number 85409-36-5
Classification Fatty alcohol esters
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 240.208930140 u
Formula C15H28O2
InChI InChI=1S/C15H28O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h8,13-14H,6-7,9-11H2,1-5H3
InChIKey VLUIZCDJJSDSKM-UHFFFAOYSA-N
Molecular Weight 240.387 g/mol
Number of Peaks 15
SMILES C(CC=C(C)C)C(C)CCOC(C(C)CC)=O
SPLASH splash10-05o1-9200000000-876717c9ab06e870f282
Source of Spectrum FF-24-128-2 (DOI: 10.1002/ffj.1922)
Synonyms (+/-)-3,7-Dimethyloct-6-enyl 2-methylbutanoate 3,7-Dimethyloct-6-en-1-yl 2-methylbutanoate 2-Methylbutanoic acid 3,7-dimethyloct-6-enyl ester 3,7-Dimethyloct-6-enyl 2-methylbutanoate
Wiley ID 1775523