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BUTYRIC ACID, 4-/2,5-XYLYL/-,
SpectraBase Compound ID AwCL1mXeewI
InChI InChI=1S/C12H16O2/c1-9-6-7-10(2)11(8-9)4-3-5-12(13)14/h6-8H,3-5H2,1-2H3,(H,13,14)
InChIKey XNTQOUBHYSKYOI-UHFFFAOYSA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8qKiMr14Hbx
Name Benzenebutanoic acid, 2,5-dimethyl-
CAS Registry Number 1453-06-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-9-6-7-10(2)11(8-9)4-3-5-12(13)14/h6-8H,3-5H2,1-2H3,(H,13,14)
InChIKey XNTQOUBHYSKYOI-UHFFFAOYSA-N
Molecular Weight 192.258 g/mol
SMILES OC(CCCc1c(C)ccc(C)c1)=O
SPLASH splash10-015c-4900000000-cae1db078a7b839780c7
Source of Spectrum EP-4058-0-0
Synonyms Butyric acid, 4-(2,5-xylyl)- 4-(2,5-Dimethylphenyl)butanoic acid 4-(2,5-Xylyl)butanoic acid .gamma.-(2,5-Dimethylphenyl)-n-butyric acid 4-(2,5-dimethylphenyl)butyric acid 4-(2,5-Xylyl)butyric acid
Wiley ID 1188575