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2,4-Dimethylpentanoic acid 3-methylbutyl ester
SpectraBase Compound ID 3TVFdTvB71u
InChI InChI=1S/C12H24O2/c1-9(2)6-7-14-12(13)11(5)8-10(3)4/h9-11H,6-8H2,1-5H3
InChIKey HKQCXVYMTICXCZ-UHFFFAOYSA-N
Mol Weight 200.32 g/mol
Molecular Formula C12H24O2
Exact Mass 200.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Icu1CqqahD0
Name 2,4-Dimethylpentanoic acid 3-methylbutyl ester
Alternate Name(s) 2,4-Dimethylvaleric acid isoamyl ester 3-Methylbutyl 2,4-dimethylpentanoate isopentyl 2,4-dimethylpentanoate
CAS Registry Number 125427-73-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H24O2
InChI InChI=1S/C12H24O2/c1-9(2)6-7-14-12(13)11(5)8-10(3)4/h9-11H,6-8H2,1-5H3
InChIKey HKQCXVYMTICXCZ-UHFFFAOYSA-N
Molecular Weight 200.322 g/mol
SMILES C(C(CC(C)C)C)(=O)OCCC(C)C
SPLASH splash10-00di-9100000000-5b31182bcd9b27c0012d
Source of Spectrum F-45-6193-29
Wiley ID 1198047