| SpectraBase Spectrum ID |
D2PlFbkcYjf |
| Name |
Trans-4-(3-acetylaminopropyl)cyclohexanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
199.157228918 u |
| Formula |
C11H21NO2 |
| InChI |
InChI=1S/C11H21NO2/c1-9(13)12-8-2-3-10-4-6-11(14)7-5-10/h10-11,14H,2-8H2,1H3,(H,12,13)/t10-,11- |
| InChIKey |
LWJSQJSZWINBAO-XYPYZODXSA-N |
| Molecular Weight |
199.294 g/mol |
| SMILES |
[C@]1(CC[C@@](CC1)(O)[H])(CCCNC(=O)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938532 |
