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Butyric acid, 2-methyl-4-(2,5-xylyl)-
SpectraBase Compound ID FPxj5NyYyFU
InChI InChI=1S/C13H18O2/c1-9-4-5-10(2)12(8-9)7-6-11(3)13(14)15/h4-5,8,11H,6-7H2,1-3H3,(H,14,15)
InChIKey IQQRCAWQIUUADX-UHFFFAOYSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4E7aXzlnOiR
Name Butyric acid, 2-methyl-4-(2,5-xylyl)-
CAS Registry Number 30316-14-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-9-4-5-10(2)12(8-9)7-6-11(3)13(14)15/h4-5,8,11H,6-7H2,1-3H3,(H,14,15)
InChIKey IQQRCAWQIUUADX-UHFFFAOYSA-N
Molecular Weight 206.285 g/mol
SMILES OC(C(C)CCc1cc(C)ccc1C)=O
SPLASH splash10-00lr-7900000000-84097a357fbf4d8e5700
Source of Spectrum TX-0-193-0
Synonyms 4-(2,5-Dimethylphenyl)-2-methylbutanoic acid 2-Methyl-4-(2,5-xylyl)butanoic acid 4-(2,5-dimethylphenyl)-2-methyl-butyric acid
Wiley ID 1204608