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4-(Pentamethylbenzoyl)butyric acid

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 1 UV-Vis

4-(Pentamethylbenzoyl)butyric acid
SpectraBase Compound ID 7xdElGwFhXZ
InChI InChI=1S/C16H22O3/c1-9-10(2)12(4)16(13(5)11(9)3)14(17)7-6-8-15(18)19/h6-8H2,1-5H3,(H,18,19)
InChIKey LSTWOJFKZVADSB-UHFFFAOYSA-N
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID Gao00tmowon
Name 4-(Pentamethylbenzoyl)butyric acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 262.156894565 u
Formula C16H22O3
InChI InChI=1S/C16H22O3/c1-9-10(2)12(4)16(13(5)11(9)3)14(17)7-6-8-15(18)19/h6-8H2,1-5H3,(H,18,19)
InChIKey LSTWOJFKZVADSB-UHFFFAOYSA-N
Molecular Weight 262.349 g/mol
SMILES OC(CCCC(C1=C(C(=C(C(=C1C)C)C)C)C)=O)=O
Spectrum/Structure Validation Score (Raman) 0.975821