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5-[3-(4-Hydroxyphenyl)-7-oxidanyl-4-oxidanylidene-chromen-2-yl]pentanoic acid

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

5-[3-(4-Hydroxyphenyl)-7-oxidanyl-4-oxidanylidene-chromen-2-yl]pentanoic acid
SpectraBase Compound ID LInUbJMuWUp
InChI InChI=1S/C20H18O6/c21-13-7-5-12(6-8-13)19-16(3-1-2-4-18(23)24)26-17-11-14(22)9-10-15(17)20(19)25/h5-11,21-22H,1-4H2,(H,23,24)
InChIKey AMZMYDFFWJDBRK-UHFFFAOYSA-N
Mol Weight 354.36 g/mol
Molecular Formula C20H18O6
Exact Mass 354.110338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CmG0XrlbTmy
Name 5-[3-(4-Hydroxyphenyl)-7-oxidanyl-4-oxidanylidene-chromen-2-yl]pentanoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.110338294 u
Formula C20H18O6
InChI InChI=1S/C20H18O6/c21-13-7-5-12(6-8-13)19-16(3-1-2-4-18(23)24)26-17-11-14(22)9-10-15(17)20(19)25/h5-11,21-22H,1-4H2,(H,23,24)
InChIKey AMZMYDFFWJDBRK-UHFFFAOYSA-N
Molecular Weight 354.358 g/mol
SMILES C=1(C(C=2C=CC(=CC2OC1CCCCC(=O)O)O)=O)C=1C=CC(=CC1)O