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Pentanoic acid, 2,4-dimethyl-, 3-phenylpropyl ester, (S)-
SpectraBase Compound ID 781EuvWrN6n
InChI InChI=1S/C16H24O2/c1-13(2)12-14(3)16(17)18-11-7-10-15-8-5-4-6-9-15/h4-6,8-9,13-14H,7,10-12H2,1-3H3
InChIKey ABXMMSBSGWUVDQ-UHFFFAOYSA-N
Mol Weight 248.37 g/mol
Molecular Formula C16H24O2
Exact Mass 248.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EkTT69Axg7k
Name Pentanoic acid, 2,4-dimethyl-, 3-phenylpropyl ester, (S)-
Alternate Name(s) 3-Phenylpropyl 2,4-dimethylpentanoate
CAS Registry Number 125444-47-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O2
InChI InChI=1S/C16H24O2/c1-13(2)12-14(3)16(17)18-11-7-10-15-8-5-4-6-9-15/h4-6,8-9,13-14H,7,10-12H2,1-3H3
InChIKey ABXMMSBSGWUVDQ-UHFFFAOYSA-N
Molecular Weight 248.366 g/mol
SMILES C(C(CC(C)C)C)(=O)OCCCc1ccccc1
SPLASH splash10-014i-1900000000-58982c97de191ae5bdd3
Source of Spectrum F-45-6192-29
Wiley ID 1251642