| SpectraBase Spectrum ID |
K6euvBimxRF |
| Name |
Ethyl N-cyano-N-(2'-phenylethyl)carbamate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
218.105527697 u |
| Formula |
C12H14N2O2 |
| InChI |
InChI=1S/C12H14N2O2/c1-2-16-12(15)14(10-13)9-8-11-6-4-3-5-7-11/h3-7H,2,8-9H2,1H3 |
| InChIKey |
MAMWZMWTMFGBBF-UHFFFAOYSA-N |
| Molecular Weight |
218.256 g/mol |
| SMILES |
C(N(C#N)CCC1=CC=CC=C1)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92355 |
