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

*Links on SpectraBase are not permalinks.

N-Benzylmethylone

View entire compound with spectra: 1 NMR, 1 FTIR, and 4 MS (GC)

N-Benzylmethylone
SpectraBase Compound ID GJYSxOXlo4y
InChI InChI=1S/C18H19NO3/c1-13(19(2)11-14-6-4-3-5-7-14)18(20)15-8-9-16-17(10-15)22-12-21-16/h3-10,13H,11-12H2,1-2H3
InChIKey TVLQTRHLXJYFAA-UHFFFAOYSA-N
Mol Weight 297.35 g/mol
Molecular Formula C18H19NO3
Exact Mass 297.136493 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 8r7YlEuOnAN
Name N-Benzylmethylone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 297.136493473 u
Formula C18H19NO3
InChI InChI=1S/C18H19NO3/c1-13(19(2)11-14-6-4-3-5-7-14)18(20)15-8-9-16-17(10-15)22-12-21-16/h3-10,13H,11-12H2,1-2H3
InChIKey TVLQTRHLXJYFAA-UHFFFAOYSA-N
Molecular Weight 297.354 g/mol
SMILES C=1(C(C(N(CC=2C=CC=CC2)C)C)=O)C=C2C(=CC1)OCO2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.958503