| SpectraBase Spectrum ID |
FqvELoacWSk |
| Name |
1H-3A,7-Epoxyazulene, 2,3,6,7,8,8A-hexahydro-4-methoxy-8A-methyl-, (3A.alpha.,7.alpha.,8A.beta.)-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
194.130679818 u |
| Formula |
C12H18O2 |
| InChI |
InChI=1S/C12H18O2/c1-11-6-3-7-12(11)10(13-2)5-4-9(8-11)14-12/h5,9H,3-4,6-8H2,1-2H3/t9-,11-,12+/m0/s1 |
| InChIKey |
ASZKNAGOINOQNC-ZMLRMANQSA-N |
| Molecular Weight |
194.274 g/mol |
| SMILES |
[C@@]123[C@](C[C@@](O3)(CC=C1OC)[H])(CCC2)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863152 |
