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Valeric acid, 4-(2,5-xylyl)-, methyl ester
SpectraBase Compound ID 2aIZSDxazOb
InChI InChI=1S/C14H20O2/c1-10-5-6-11(2)13(9-10)12(3)7-8-14(15)16-4/h5-6,9,12H,7-8H2,1-4H3
InChIKey ULDJFRVECKHMMR-UHFFFAOYSA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bi24BHKkGCJ
Name Valeric acid, 4-(2,5-xylyl)-, methyl ester
CAS Registry Number 30316-09-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-10-5-6-11(2)13(9-10)12(3)7-8-14(15)16-4/h5-6,9,12H,7-8H2,1-4H3
InChIKey ULDJFRVECKHMMR-UHFFFAOYSA-N
Molecular Weight 220.312 g/mol
SMILES C(CCC(C)c1c(ccc(c1)C)C)(=O)OC
SPLASH splash10-001i-1910000000-85eb56f13f7308574d6d
Source of Spectrum JX-2015-6-8664
Synonyms Methyl 4-(2,5-dimethylphenyl)pentanoate 4-(2,5-dimethylphenyl)pentanoic acid methyl ester Methyl 4-(2,5-xylyl)pentanoate 4-(2,5-dimethylphenyl)valeric acid methyl ester
Wiley ID 1730016