SpectraBase Spectrum ID |
La52GluCtck |
Name |
(E)-2-Ethylidene-4,4-dimethylcyclopentyl N-phenylcarbamate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
259.157228918 u |
Formula |
C16H21NO2 |
InChI |
InChI=1S/C16H21NO2/c1-4-12-10-16(2,3)11-14(12)19-15(18)17-13-8-6-5-7-9-13/h4-9,14H,10-11H2,1-3H3,(H,17,18)/b12-4+ |
InChIKey |
CTECECOBMMVKRC-UUILKARUSA-N |
Molecular Weight |
259.349 g/mol |
SMILES |
C(NC=1C=CC=CC1)(=O)OC1\C(CC(C1)(C)C)=C\C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.821867 |