| SpectraBase Spectrum ID |
KvlljkqaRKs |
| Name |
5-Ethyl-3,7,7-trimethylcycloocta-2,4-dien-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
192.151415263 u |
| Formula |
C13H20O |
| InChI |
InChI=1S/C13H20O/c1-5-11-6-10(2)7-12(14)9-13(3,4)8-11/h6-7H,5,8-9H2,1-4H3/b10-7-,11-6- |
| InChIKey |
PZDWLMHVJVCSJR-LXQMTTSMSA-N |
| Molecular Weight |
192.302 g/mol |
| SMILES |
C1\C(=C/C(=C\C(CC1(C)C)=O)C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.86189 |
