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4-(1,3-Benzodioxol-5-yl)-3-hydroxy-1-(4-methoxyphenyl)butan-1-one

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

4-(1,3-Benzodioxol-5-yl)-3-hydroxy-1-(4-methoxyphenyl)butan-1-one
SpectraBase Compound ID DwW9BJ20sLh
InChI InChI=1S/C18H18O5/c1-21-15-5-3-13(4-6-15)16(20)10-14(19)8-12-2-7-17-18(9-12)23-11-22-17/h2-7,9,14,19H,8,10-11H2,1H3
InChIKey OJYHHDDPFZXRNZ-UHFFFAOYSA-N
Mol Weight 314.34 g/mol
Molecular Formula C18H18O5
Exact Mass 314.115424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ws9eVWOwNN
Name 4-(1,3-Benzodioxol-5-yl)-3-hydroxy-1-(4-methoxyphenyl)butan-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.115423675 u
Formula C18H18O5
InChI InChI=1S/C18H18O5/c1-21-15-5-3-13(4-6-15)16(20)10-14(19)8-12-2-7-17-18(9-12)23-11-22-17/h2-7,9,14,19H,8,10-11H2,1H3
InChIKey OJYHHDDPFZXRNZ-UHFFFAOYSA-N
Molecular Weight 314.337 g/mol
SMILES C(C(CC(C1=CC=C(OC)C=C1)=O)O)C1=CC=C2C(=C1)OCO2