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2,4-Dimethyl-heptanoic acid, methyl ester
SpectraBase Compound ID 7Hi0E5DhyeS
InChI InChI=1S/C10H20O2/c1-5-6-8(2)7-9(3)10(11)12-4/h8-9H,5-7H2,1-4H3
InChIKey RDGCVYZEFBLREA-UHFFFAOYSA-N
Mol Weight 172.27 g/mol
Molecular Formula C10H20O2
Exact Mass 172.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AJb5ZXWPYf8
Name Heptanoic acid, 2,4-dimethyl-, methyl ester, (R,R)-(-)-
Alternate Name(s) Heptanoic acid, 2,4-dimethyl-, methyl ester, (2S,4R)-(+)- Methyl 2,4-dimethylheptanoate 2,4-Dimethylenanthic acid methyl ester 2,4-Dimethylheptanoic acid methyl ester
CAS Registry Number 18450-78-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H20O2
InChI InChI=1S/C10H20O2/c1-5-6-8(2)7-9(3)10(11)12-4/h8-9H,5-7H2,1-4H3
InChIKey RDGCVYZEFBLREA-UHFFFAOYSA-N
Molecular Weight 172.268 g/mol
SMILES C(C(C(OC)=O)C)C(CCC)C
SPLASH splash10-000l-9100000000-d952500ed0bc22d9bf77
Source of Spectrum AA-0-1154-1
Wiley ID 16189