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4-[2-(3-Carboxypropyl)phenyl]butanoic acid

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

4-[2-(3-Carboxypropyl)phenyl]butanoic acid
SpectraBase Compound ID 6c7nNCq0O5x
InChI InChI=1S/C14H18O4/c15-13(16)9-3-7-11-5-1-2-6-12(11)8-4-10-14(17)18/h1-2,5-6H,3-4,7-10H2,(H,15,16)(H,17,18)
InChIKey FQTWXIRTTKHYSK-UHFFFAOYSA-N
Mol Weight 250.29 g/mol
Molecular Formula C14H18O4
Exact Mass 250.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5AyHW1pbu5D
Name 4-[2-(3-Carboxypropyl)phenyl]butanoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.120509056 u
Formula C14H18O4
InChI InChI=1S/C14H18O4/c15-13(16)9-3-7-11-5-1-2-6-12(11)8-4-10-14(17)18/h1-2,5-6H,3-4,7-10H2,(H,15,16)(H,17,18)
InChIKey FQTWXIRTTKHYSK-UHFFFAOYSA-N
Molecular Weight 250.294 g/mol
SMILES C(=O)(O)CCCC=1C(CCCC(=O)O)=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.967344