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2,2'-(2-Oxotrimethylene)dibenzoic acid

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

2,2'-(2-Oxotrimethylene)dibenzoic acid
SpectraBase Compound ID HTkijRjLxLf
InChI InChI=1S/C17H14O5/c18-13(9-11-5-1-3-7-14(11)16(19)20)10-12-6-2-4-8-15(12)17(21)22/h1-8H,9-10H2,(H,19,20)(H,21,22)
InChIKey RWXNSBQYDPROMR-UHFFFAOYSA-N
Mol Weight 298.29 g/mol
Molecular Formula C17H14O5
Exact Mass 298.084124 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 1APGEr3JmR6
Name 2,2'-(2-Oxotrimethylene)dibenzoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.084123546 u
Formula C17H14O5
InChI InChI=1S/C17H14O5/c18-13(9-11-5-1-3-7-14(11)16(19)20)10-12-6-2-4-8-15(12)17(21)22/h1-8H,9-10H2,(H,19,20)(H,21,22)
InChIKey RWXNSBQYDPROMR-UHFFFAOYSA-N
SMILES OC(C=1C=CC=CC1CC(CC=1C(C(O)=O)=CC=CC1)=O)=O
Spectrum/Structure Validation Score (Raman) 0.980694