| SpectraBase Spectrum ID |
GKiAJOSS8Is |
| Name |
cis-2,3A,8A-Trimethyl-3-methylene-3,3A,6,7,8,8A-hexahydroazulen-4(5H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
204.151415263 u |
| Formula |
C14H20O |
| InChI |
InChI=1S/C14H20O/c1-10-9-13(3)8-6-5-7-12(15)14(13,4)11(10)2/h9H,2,5-8H2,1,3-4H3/t13-,14-/m1/s1 |
| InChIKey |
NCLKIHJVPVVZDZ-ZIAGYGMSSA-N |
| Molecular Weight |
204.313 g/mol |
| SMILES |
C=1(C(=C)[C@]2([C@@](C1)(CCCCC2=O)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966301 |
