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3H-Naphtho[2,1-b]pyran-2-acetic acid, 3-oxo-

View entire compound with spectra: 1 FTIR, and 1 Raman

3H-Naphtho[2,1-b]pyran-2-acetic acid, 3-oxo-
SpectraBase Compound ID 4Ymlhp3PN2M
InChI InChI=1S/C15H10O4/c16-14(17)8-10-7-12-11-4-2-1-3-9(11)5-6-13(12)19-15(10)18/h1-7H,8H2,(H,16,17)
InChIKey OOHUCFILUXNXHE-UHFFFAOYSA-N
Mol Weight 254.24 g/mol
Molecular Formula C15H10O4
Exact Mass 254.057909 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID AI4cceZEZfy
Name 3H-Naphtho[2,1-B]pyran-2-acetic acid, 3-oxo-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.057908798 u
Formula C15H10O4
InChI InChI=1S/C15H10O4/c16-14(17)8-10-7-12-11-4-2-1-3-9(11)5-6-13(12)19-15(10)18/h1-7H,8H2,(H,16,17)
InChIKey OOHUCFILUXNXHE-UHFFFAOYSA-N
Molecular Weight 254.241 g/mol
SMILES OC(CC1=CC2=C(C=CC=3C=CC=CC23)OC1=O)=O
Spectrum/Structure Validation Score (Raman) 0.940825