For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1-(3'-Methoxypropanoyl)-2,4,5-trimethoxy-benzene

View entire compound with spectra: 1 NMR, 1 FTIR, and 3 MS (GC)

1-(3'-Methoxypropanoyl)-2,4,5-trimethoxy-benzene
SpectraBase Compound ID 9nh8wZxlIVb
InChI InChI=1S/C13H18O5/c1-15-10-8-12(17-3)11(16-2)7-9(10)5-6-13(14)18-4/h7-8H,5-6H2,1-4H3
InChIKey SULPGCHHOCMNSJ-UHFFFAOYSA-N
Mol Weight 254.28 g/mol
Molecular Formula C13H18O5
Exact Mass 254.115424 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2d61rT5JPQj
Name 1-(3'-Methoxypropanoyl)-2,4,5-trimethoxybenzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.115423675 u
Formula C13H18O5
InChI InChI=1S/C13H18O5/c1-15-10-8-12(17-3)11(16-2)7-9(10)5-6-13(14)18-4/h7-8H,5-6H2,1-4H3
InChIKey SULPGCHHOCMNSJ-UHFFFAOYSA-N
Molecular Weight 254.282 g/mol
SMILES C1(OC)=C(CCC(=O)OC)C=C(C(=C1)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.817073