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4-(1-carboxy-3,3-dimethyl-butyl)benzoic acid
SpectraBase Compound ID 6KFCZJm6GeM
InChI InChI=1S/C14H18O4/c1-14(2,3)8-11(13(17)18)9-4-6-10(7-5-9)12(15)16/h4-7,11H,8H2,1-3H3,(H,15,16)(H,17,18)
InChIKey QTTHTHPXIIDHCV-UHFFFAOYSA-N
Mol Weight 250.29 g/mol
Molecular Formula C14H18O4
Exact Mass 250.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1adPMpI3UYB
Name 4-(1-carboxy-3,3-dimethyl-butyl)benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O4
InChI InChI=1S/C14H18O4/c1-14(2,3)8-11(13(17)18)9-4-6-10(7-5-9)12(15)16/h4-7,11H,8H2,1-3H3,(H,15,16)(H,17,18)
InChIKey QTTHTHPXIIDHCV-UHFFFAOYSA-N
Molecular Weight 250.294 g/mol
SMILES OC(c1ccc(C(C(=O)O)CC(C)(C)C)cc1)=O
SPLASH splash10-0a4r-7920000000-c6edfa23d12d8ea13ab7
Source of Spectrum KC-0-1114-31
Synonyms 4-(4,4-dimethyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)benzoic acid
Wiley ID 830454