| SpectraBase Spectrum ID |
1Drgdh5dG6y |
| Name |
(S)-(+)-N-octyl-2-butyl carbamate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
229.204179111 u |
| Formula |
C13H27NO2 |
| InChI |
InChI=1S/C13H27NO2/c1-4-6-7-8-9-10-11-14-13(15)16-12(3)5-2/h12H,4-11H2,1-3H3,(H,14,15)/t12-/m0/s1 |
| InChIKey |
XMMQWJBITCRSPG-LBPRGKRZSA-N |
| Molecular Weight |
229.364 g/mol |
| SMILES |
C(=O)(O[C@](CC)(C)[H])NCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954996 |
