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3-[(9,10-Dihydro-2-phenanthryl)carbonyl]propionic acid

View entire compound with spectra: 4 NMR, 1 FTIR, and 1 Raman

3-[(9,10-Dihydro-2-phenanthryl)carbonyl]propionic acid
SpectraBase Compound ID qLIVGFcSDF
InChI InChI=1S/C18H16O3/c19-17(9-10-18(20)21)14-7-8-16-13(11-14)6-5-12-3-1-2-4-15(12)16/h1-4,7-8,11H,5-6,9-10H2,(H,20,21)
InChIKey ZEGXAOIZLSNOEB-UHFFFAOYSA-N
Mol Weight 280.32 g/mol
Molecular Formula C18H16O3
Exact Mass 280.109944 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID NnaYMBqMMO
Name 3-[(9,10-Dihydro-2-phenanthryl)carbonyl]propionic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 280.109944372 u
Formula C18H16O3
InChI InChI=1S/C18H16O3/c19-17(9-10-18(20)21)14-7-8-16-13(11-14)6-5-12-3-1-2-4-15(12)16/h1-4,7-8,11H,5-6,9-10H2,(H,20,21)
InChIKey ZEGXAOIZLSNOEB-UHFFFAOYSA-N
Molecular Weight 280.323 g/mol
SMILES OC(CCC(C=1C=CC=2C3=CC=CC=C3CCC2C1)=O)=O
Spectrum/Structure Validation Score (Raman) 0.964295