| SpectraBase Spectrum ID |
B6EwrBAhMrj |
| Name |
4(2H)-Azulenone, 8-(acetyloxy)octahydro-1-methyl-, [1R-(1.alpha.,3A.alpha.,8.beta.,8A.beta.)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.141244501 u |
| Formula |
C13H20O3 |
| InChI |
InChI=1S/C13H20O3/c1-8-6-7-10-11(15)4-3-5-12(13(8)10)16-9(2)14/h8,10,12-13H,3-7H2,1-2H3/t8-,10+,12-,13-/m1/s1 |
| InChIKey |
CTRGTIOYTQSBCH-MWKLQFHZSA-N |
| Molecular Weight |
224.300 g/mol |
| SMILES |
[C@@]12([C@](C(=O)CCC[C@]2(OC(=O)C)[H])(CC[C@]1(C)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949248 |
![4(2H)-Azulenone, 8-(acetyloxy)octahydro-1-methyl-, [1R-(1.alpha.,3a.alpha.,8.beta.,8a.beta.)]-](/api/spectrum/B6EwrBAhMrj/structure.png?h=300&w=458 "4(2H)-Azulenone, 8-(acetyloxy)octahydro-1-methyl-, [1R-(1.alpha.,3a.alpha.,8.beta.,8a.beta.)]-")
