| SpectraBase Spectrum ID |
KvIwaIA5WK6 |
| Name |
Calamenene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
202.172150708 u |
| Formula |
C15H22 |
| InChI |
InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13-/m1/s1 |
| InChIKey |
PGTJIOWQJWHTJJ-CHWSQXEVSA-N |
| Molecular Weight |
202.341 g/mol |
| SMILES |
C=12C([C@@](CC[C@@]2(C(C)C)[H])(C)[H])=CC=C(C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953812 |
