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

*Links on SpectraBase are not permalinks.

Benzyl N-(4,4-diethoxy-1-pentylbut-2-ynyl)carbamate

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

Benzyl N-(4,4-diethoxy-1-pentylbut-2-ynyl)carbamate
SpectraBase Compound ID 54IvM616Qz9
InChI InChI=1S/C21H31NO4/c1-4-7-9-14-19(15-16-20(24-5-2)25-6-3)22-21(23)26-17-18-12-10-8-11-13-18/h8,10-13,19-20H,4-7,9,14,17H2,1-3H3,(H,22,23)
InChIKey NQRUGPSAXMTPAB-UHFFFAOYSA-N
Mol Weight 361.48 g/mol
Molecular Formula C21H31NO4
Exact Mass 361.225308 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 53SLyO99sNI
Name Benzyl N-(4,4-diethoxy-1-pentylbut-2-ynyl)carbamate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 361.225308478 u
Formula C21H31NO4
InChI InChI=1S/C21H31NO4/c1-4-7-9-14-19(15-16-20(24-5-2)25-6-3)22-21(23)26-17-18-12-10-8-11-13-18/h8,10-13,19-20H,4-7,9,14,17H2,1-3H3,(H,22,23)
InChIKey NQRUGPSAXMTPAB-UHFFFAOYSA-N
Molecular Weight 361.482 g/mol
SMILES C(#CC(NC(=O)OCC=1C=CC=CC1)CCCCC)C(OCC)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949833