| SpectraBase Spectrum ID |
5zVHMuYWjVT |
| Name |
Methyl N-(2-hex-1-ynylphenyl)carbamate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
231.125928789 u |
| Formula |
C14H17NO2 |
| InChI |
InChI=1S/C14H17NO2/c1-3-4-5-6-9-12-10-7-8-11-13(12)15-14(16)17-2/h7-8,10-11H,3-5H2,1-2H3,(H,15,16) |
| InChIKey |
XPVRZUMPSCNLGV-UHFFFAOYSA-N |
| Molecular Weight |
231.295 g/mol |
| SMILES |
C(NC=1C(C#CCCCC)=CC=CC1)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962654 |
