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1-(8-Methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenyl)ethanone
SpectraBase Compound ID JXdPOLzP2Bx
InChI InChI=1S/C18H18O5/c1-20-14-5-3-12(4-6-14)9-15(19)13-10-16(21-2)18-17(11-13)22-7-8-23-18/h3-6,10-11H,7-9H2,1-2H3
InChIKey PAQUIKATTXEVHL-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 PJiVoQBvvQ
Name 1-(8-Methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenyl)ethanone
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/c1-20-14-5-3-12(4-6-14)9-15(19)13-10-16(21-2)18-17(11-13)22-7-8-23-18/h3-6,10-11H,7-9H2,1-2H3
InChIKey PAQUIKATTXEVHL-UHFFFAOYSA-N
Molecular Weight 314.337 g/mol
SMILES C(CC1=CC=C(C=C1)OC)(=O)C1=CC(=C2OCCOC2=C1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.966519