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

*Links on SpectraBase are not permalinks.

Carbonic acid, monoamide, N-benzyl-N-octyl-, but-3-yn-1-yl ester

View entire compound with spectra: 1 NMR

Carbonic acid, monoamide, N-benzyl-N-octyl-, but-3-yn-1-yl ester
SpectraBase Compound ID 1FU8MfOsXQC
InChI InChI=1S/C20H29NO2/c1-3-5-7-8-9-13-16-21(20(22)23-17-6-4-2)18-19-14-11-10-12-15-19/h2,10-12,14-15H,3,5-9,13,16-18H2,1H3
InChIKey ATBYTOKREVCZHL-UHFFFAOYSA-N
Mol Weight 315.46 g/mol
Molecular Formula C20H29NO2
Exact Mass 315.219829 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 85rKox6EB9A
Name Carbonic acid, monoamide, N-benzyl-N-octyl-, but-3-yn-1-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 315.219829176 u
Formula C20H29NO2
InChI InChI=1S/C20H29NO2/c1-3-5-7-8-9-13-16-21(20(22)23-17-6-4-2)18-19-14-11-10-12-15-19/h2,10-12,14-15H,3,5-9,13,16-18H2,1H3
InChIKey ATBYTOKREVCZHL-UHFFFAOYSA-N
Molecular Weight 315.457 g/mol
SMILES C(N(CCCCCCCC)CC1=CC=CC=C1)(=O)OCCC#C