| SpectraBase Compound ID | KMVoAOosxco |
|---|---|
| InChI | InChI=1S/C13H22O/c1-2-8-13(14)9-11-6-4-3-5-7-12(11)10-13/h14H,2-10H2,1H3 |
| InChIKey | JGKNGXBRRRIFAX-UHFFFAOYSA-N |
| Mol Weight | 194.32 g/mol |
| Molecular Formula | C13H22O |
| Exact Mass | 194.167065 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HZyxwv6pmeP |
|---|---|
| Name | 1,2,3,4,5,6,7,8-Octahydro-2-N-propyl-2-azulenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.167065327 u |
| Formula | C13H22O |
| InChI | InChI=1S/C13H22O/c1-2-8-13(14)9-11-6-4-3-5-7-12(11)10-13/h14H,2-10H2,1H3 |
| InChIKey | JGKNGXBRRRIFAX-UHFFFAOYSA-N |
| Molecular Weight | 194.318 g/mol |
| SMILES | C12=C(CC(C2)(O)CCC)CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.900044 |