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

*Links on SpectraBase are not permalinks.

Benzyl (5,5-dimethyl-4-oxohex-2-ynyl)carbamate

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

Benzyl (5,5-dimethyl-4-oxohex-2-ynyl)carbamate
SpectraBase Compound ID 2hVmsThi6QQ
InChI InChI=1S/C16H19NO3/c1-16(2,3)14(18)10-7-11-17-15(19)20-12-13-8-5-4-6-9-13/h4-6,8-9H,11-12H2,1-3H3,(H,17,19)
InChIKey ZQGIUEGCFDDTSU-UHFFFAOYSA-N
Mol Weight 273.33 g/mol
Molecular Formula C16H19NO3
Exact Mass 273.136493 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 LFFxCLEwYiI
Name Benzyl (5,5-dimethyl-4-oxohex-2-ynyl)carbamate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 273.136493473 u
Formula C16H19NO3
InChI InChI=1S/C16H19NO3/c1-16(2,3)14(18)10-7-11-17-15(19)20-12-13-8-5-4-6-9-13/h4-6,8-9H,11-12H2,1-3H3,(H,17,19)
InChIKey ZQGIUEGCFDDTSU-UHFFFAOYSA-N
Molecular Weight 273.332 g/mol
SMILES C(=O)(OCC=1C=CC=CC1)NCC#CC(C(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.840464