| SpectraBase Spectrum ID |
OmZwXlfw2n |
| Name |
1H-3A,6-Methanoazulen-7(4H)-one, hexahydro-3-methyl-, [3R-(3.alpha.,3A.alpha.,6.alpha.,8A.alpha.)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
178.135765199 u |
| Formula |
C12H18O |
| InChI |
InChI=1S/C12H18O/c1-8-2-3-10-6-11(13)9-4-5-12(8,10)7-9/h8-10H,2-7H2,1H3/t8-,9?,10+,12-/m1/s1 |
| InChIKey |
BCLSRIQIXPLBIW-WSVRWTTQSA-N |
| Molecular Weight |
178.275 g/mol |
| SMILES |
[C@]123CC(CC3)C(C[C@@]1(CC[C@]2(C)[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906398 |
![1H-3a,6-Methanoazulen-7(4H)-one, hexahydro-3-methyl-, [3R-(3.alpha.,3a.alpha.,6.alpha.,8a.alpha.)]-](/api/spectrum/OmZwXlfw2n/structure.png?h=300&w=458 "1H-3a,6-Methanoazulen-7(4H)-one, hexahydro-3-methyl-, [3R-(3.alpha.,3a.alpha.,6.alpha.,8a.alpha.)]-")
