| SpectraBase Spectrum ID |
AhDZVVkUeuD |
| Name |
3-Isopropyl-6-methylhexahydroazepin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
169.146664235 u |
| Formula |
C10H19NO |
| InChI |
InChI=1S/C10H19NO/c1-7(2)9-5-4-8(3)6-11-10(9)12/h7-9H,4-6H2,1-3H3,(H,11,12)/t8-,9+/m1/s1 |
| InChIKey |
XTGVNDCCKLFHJY-BDAKNGLRSA-N |
| Molecular Weight |
169.268 g/mol |
| SMILES |
C1(NC[C@](C)(CC[C@]1(C(C)C)[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95705 |
