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

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

4-(1,3-Benzodioxol-5-yl)-3-hydroxy-1-(3-methoxyphenyl)butan-1-one
SpectraBase Compound ID Ar6MaVbWaTt
InChI InChI=1S/C18H18O5/c1-21-15-4-2-3-13(9-15)16(20)10-14(19)7-12-5-6-17-18(8-12)23-11-22-17/h2-6,8-9,14,19H,7,10-11H2,1H3
InChIKey ZNUNXPFWZXFJRU-UHFFFAOYSA-N
Mol Weight 314.34 g/mol
Molecular Formula C18H18O5
Exact Mass 314.115424 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 93f07JPHZT2
Name 4-(1,3-Benzodioxol-5-yl)-3-hydroxy-1-(3-methoxyphenyl)butan-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.115423675 u
Formula C18H18O5
InChI InChI=1S/C18H18O5/c1-21-15-4-2-3-13(9-15)16(20)10-14(19)7-12-5-6-17-18(8-12)23-11-22-17/h2-6,8-9,14,19H,7,10-11H2,1H3
InChIKey ZNUNXPFWZXFJRU-UHFFFAOYSA-N
Molecular Weight 314.337 g/mol
SMILES C(CC(O)CC1=CC=C2C(=C1)OCO2)(=O)C=1C=C(OC)C=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.943632