| SpectraBase Spectrum ID |
CComaM2UDEm |
| Name |
1,5-Azulenedione, 2,3,3A,4,8,8A-hexahydro-4,8A-dimethyl-, (3A.alpha.,4.alpha.,8A.beta.)-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
192.115029753 u |
| Formula |
C12H16O2 |
| InChI |
InChI=1S/C12H16O2/c1-8-9-5-6-11(14)12(9,2)7-3-4-10(8)13/h3-4,8-9H,5-7H2,1-2H3/t8-,9-,12-/m0/s1 |
| InChIKey |
PHYHDTXCSIGBCB-AUTRQRHGSA-N |
| Molecular Weight |
192.258 g/mol |
| SMILES |
[C@@]12([C@]([C@@](C(=O)C=CC2)(C)[H])(CCC1=O)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961516 |
