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

*Links on SpectraBase are not permalinks.

5-(p-Methoxybenzyloxy)pentan-2-one

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

5-(p-Methoxybenzyloxy)pentan-2-one
SpectraBase Compound ID HGOee1HwBRr
InChI InChI=1S/C13H18O3/c1-11(14)4-3-9-16-10-12-5-7-13(15-2)8-6-12/h5-8H,3-4,9-10H2,1-2H3
InChIKey BCFMWUAHJJWAPD-UHFFFAOYSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 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 AZg7bdNmovC
Name 5-(p-Methoxybenzyloxy)pentan-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.125594437 u
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-11(14)4-3-9-16-10-12-5-7-13(15-2)8-6-12/h5-8H,3-4,9-10H2,1-2H3
InChIKey BCFMWUAHJJWAPD-UHFFFAOYSA-N
Molecular Weight 222.284 g/mol
SMILES C(=O)(CCCOCC=1C=CC(=CC1)OC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936183