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

*Links on SpectraBase are not permalinks.

1-(N-4'-Methoxybenzyl)azacycloheptadec-12-yne-2-one

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

1-(N-4'-Methoxybenzyl)azacycloheptadec-12-yne-2-one
SpectraBase Compound ID 3X4rcyUl7AC
InChI InChI=1S/C24H35NO2/c1-27-23-18-16-22(17-19-23)21-25-20-14-12-10-8-6-4-2-3-5-7-9-11-13-15-24(25)26/h16-19H,2-5,7,9-15,20-21H2,1H3
InChIKey YCWYVSSUWQYNGJ-UHFFFAOYSA-N
Mol Weight 369.5 g/mol
Molecular Formula C24H35NO2
Exact Mass 369.266779 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 LYhUSqgXiub
Name 1-(N-4'-Methoxybenzyl)azacycloheptadec-12-yne-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 369.266779369 u
Formula C24H35NO2
InChI InChI=1S/C24H35NO2/c1-27-23-18-16-22(17-19-23)21-25-20-14-12-10-8-6-4-2-3-5-7-9-11-13-15-24(25)26/h16-19H,2-5,7,9-15,20-21H2,1H3
InChIKey YCWYVSSUWQYNGJ-UHFFFAOYSA-N
Molecular Weight 369.549 g/mol
SMILES C1(N(CCCCC#CCCCCCCCCC1)CC1=CC=C(C=C1)OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.943329