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o-(3,7-Dihydroxydibenz[B,F][1,4]oxazepin-11-yl)benzoic acid

View entire compound with spectra: 1 FTIR, 1 Raman, and 3 UV-Vis

o-(3,7-Dihydroxydibenz[B,F][1,4]oxazepin-11-yl)benzoic acid
SpectraBase Compound ID EQFLopIPsHV
InChI InChI=1S/C20H13NO5/c22-11-5-7-15-17(9-11)26-18-10-12(23)6-8-16(18)21-19(15)13-3-1-2-4-14(13)20(24)25/h1-10,22-23H,(H,24,25)
InChIKey FOPDVSATCFBKCH-UHFFFAOYSA-N
Mol Weight 347.33 g/mol
Molecular Formula C20H13NO5
Exact Mass 347.079373 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID EcjevJOZ6dg
Name o-(3,7-Dihydroxydibenz[B,F][1,4]oxazepin-11-yl)benzoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 347.079372518 u
Formula C20H13NO5
InChI InChI=1S/C20H13NO5/c22-11-5-7-15-17(9-11)26-18-10-12(23)6-8-16(18)21-19(15)13-3-1-2-4-14(13)20(24)25/h1-10,22-23H,(H,24,25)
InChIKey FOPDVSATCFBKCH-UHFFFAOYSA-N
SMILES OC(C=1C(C=2C=3C=CC(=CC3OC=3C=C(C=CC3N2)O)O)=CC=CC1)=O
Spectrum/Structure Validation Score (Raman) 0.951785