| SpectraBase Spectrum ID |
F6xk48trSUk |
| Name |
4-Isopropyl-3-methylene-1-oxa-3,3A,4,5,6,7,8,8A-octahydroazulen-2(1H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
208.146329882 u |
| Formula |
C13H20O2 |
| InChI |
InChI=1S/C13H20O2/c1-8(2)10-6-4-5-7-11-12(10)9(3)13(14)15-11/h8,10-12H,3-7H2,1-2H3 |
| InChIKey |
AUGHXHZIGLSKLS-UHFFFAOYSA-N |
| Molecular Weight |
208.301 g/mol |
| SMILES |
C1(C(OC2C1C(CCCC2)C(C)C)=O)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.817205 |
