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rac-cis(3,4-dihydro-9-hydroxy-5,10-dioxo-1-phenyl-1H-naphtho[2,3-c]pyran-3-yl)acetic acid

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

rac-cis(3,4-dihydro-9-hydroxy-5,10-dioxo-1-phenyl-1H-naphtho[2,3-c]pyran-3-yl)acetic acid
SpectraBase Compound ID 3j2meNSfpvz
InChI InChI=1S/C21H16O6/c22-15-8-4-7-13-17(15)20(26)18-14(19(13)25)9-12(10-16(23)24)27-21(18)11-5-2-1-3-6-11/h1-8,12,21-22H,9-10H2,(H,23,24)/t12-,21-/m0/s1
InChIKey XTJJKZZLWPXJKU-QKVFXAPYSA-N
Mol Weight 364.35 g/mol
Molecular Formula C21H16O6
Exact Mass 364.094688 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EmysKnKxhJ9
Name rac-cis(3,4-Dihydro-9-hydroxy-5,10-dioxo-1-phenyl-1H-naphtho[2,3-C]pyran-3-yl)acetic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.094688229 u
Formula C21H16O6
InChI InChI=1S/C21H16O6/c22-15-8-4-7-13-17(15)20(26)18-14(19(13)25)9-12(10-16(23)24)27-21(18)11-5-2-1-3-6-11/h1-8,12,21-22H,9-10H2,(H,23,24)/t12-,21-/m0/s1
InChIKey XTJJKZZLWPXJKU-QKVFXAPYSA-N
Molecular Weight 364.353 g/mol
SMILES C12=C(C(=O)C=3C(C2=O)=C(O)C=CC3)C[C@](O[C@]1(C=1C=CC=CC1)[H])(CC(=O)O)[H]