| SpectraBase Spectrum ID |
1JKHzkqmARe |
| Name |
6,7;7,10-Bisepoxy-6,7-seco-calamenene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.146329882 u |
| Formula |
C15H20O2 |
| InChI |
InChI=1S/C15H20O2/c1-10(2)15-8-7-14(4,17-15)12-6-5-11(3)9-13(12)16-15/h5-6,9-10H,7-8H2,1-4H3 |
| InChIKey |
ZOYQOKPXTQBYKL-UHFFFAOYSA-N |
| Molecular Weight |
232.323 g/mol |
| SMILES |
C1=CC2=C(C=C1C)OC1(CCC2(C)O1)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87589 |
