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Butyric acid, 3-methyl-4-(2,5-xylyl)-
SpectraBase Compound ID 19r9DwPfuqI
InChI InChI=1S/C13H18O2/c1-9-4-5-11(3)12(6-9)7-10(2)8-13(14)15/h4-6,10H,7-8H2,1-3H3,(H,14,15)
InChIKey RPPRCNUBOAUVCI-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 LbLN2PTk4o9
Name Butyric acid, 3-methyl-4-(2,5-xylyl)-
CAS Registry Number 30275-76-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-9-4-5-11(3)12(6-9)7-10(2)8-13(14)15/h4-6,10H,7-8H2,1-3H3,(H,14,15)
InChIKey RPPRCNUBOAUVCI-UHFFFAOYSA-N
Molecular Weight 206.285 g/mol
SMILES OC(CC(C)Cc1cc(C)ccc1C)=O
SPLASH splash10-014i-6900000000-261bb40491b40e42d911
Source of Spectrum TX-0-194-0
Synonyms 4-(2,5-Dimethylphenyl)-3-methylbutanoic acid 3-Methyl-4-(2,5-xylyl)butanoic acid 4-(2,5-dimethylphenyl)-3-methyl-butyric acid
Wiley ID 1204609