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4-(4-Phenoxybutoxy)-5H-furo[3,2-g][1]benzopyran-5-one

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

4-(4-Phenoxybutoxy)-5H-furo[3,2-g][1]benzopyran-5-one
SpectraBase Compound ID 4Hih8hMjoGJ
InChI InChI=1S/C21H18O5/c22-17-9-13-25-19-14-18-16(8-12-24-18)21(20(17)19)26-11-5-4-10-23-15-6-2-1-3-7-15/h1-3,6-9,12-14H,4-5,10-11H2
InChIKey SISLNMPYYYCLEE-UHFFFAOYSA-N
Mol Weight 350.37 g/mol
Molecular Formula C21H18O5
Exact Mass 350.115424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1SECNtUfnkw
Name 4-(4-Phenoxybutoxy)-5H-furo[3,2-G][1]benzopyran-5-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.115423675 u
Formula C21H18O5
InChI InChI=1S/C21H18O5/c22-17-9-13-25-19-14-18-16(8-12-24-18)21(20(17)19)26-11-5-4-10-23-15-6-2-1-3-7-15/h1-3,6-9,12-14H,4-5,10-11H2
InChIKey SISLNMPYYYCLEE-UHFFFAOYSA-N
Molecular Weight 350.370 g/mol
SMILES C1=CC(C=2C(O1)=CC1=C(C2OCCCCOC=2C=CC=CC2)C=CO1)=O