| SpectraBase Spectrum ID |
AqAo3rDtRjZ |
| Name |
Azulene, 1,2,3,4,5,6-hexahydro-1,4-dimethyl-7-(1-methylethyl)-, (1R-cis)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
204.187800773 u |
| Formula |
C15H24 |
| InChI |
InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h9-12H,5-8H2,1-4H3/t11?,12-/m1/s1 |
| InChIKey |
YLPOFTFBOIPYLE-PIJUOVFKSA-N |
| Molecular Weight |
204.357 g/mol |
| SMILES |
C1=2C=C(CCC(C2CC[C@]1(C)[H])C)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936964 |
