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Pentandioic acid, (p-t-butylphenyl) ester

View entire compound with spectra: 2 MS (GC)

Pentandioic acid, (p-t-butylphenyl) ester
SpectraBase Compound ID HcF8sKVGn79
InChI InChI=1S/C15H20O4/c1-15(2,3)11-7-9-12(10-8-11)19-14(18)6-4-5-13(16)17/h7-10H,4-6H2,1-3H3,(H,16,17)
InChIKey CBNDHYKMKSQAQY-UHFFFAOYSA-N
Mol Weight 264.32 g/mol
Molecular Formula C15H20O4
Exact Mass 264.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9aiuMXEI5eq
Name Pentandioic acid, (p-t-butylphenyl) ester
CAS Registry Number 212762-88-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O4
InChI InChI=1S/C15H20O4/c1-15(2,3)11-7-9-12(10-8-11)19-14(18)6-4-5-13(16)17/h7-10H,4-6H2,1-3H3,(H,16,17)
InChIKey CBNDHYKMKSQAQY-UHFFFAOYSA-N
Molecular Weight 264.321 g/mol
SMILES OC(CCCC(Oc1ccc(C(C)(C)C)cc1)=O)=O
SPLASH splash10-000i-2900000000-e2cd3ae2a3d6d0f6447c
Synonyms 5-(4-tert-butylphenoxy)-5-keto-valeric acid 5-(4-tert-butylphenoxy)-5-oxidanylidene-pentanoic acid 5-(4-tert-butylphenoxy)-5-oxo-pentanoic acid
Wiley ID 1490628