| SpectraBase Compound ID | LmrotCCSBv2 |
|---|---|
| InChI | InChI=1S/C14H28O/c1-6-14(5,15)11-10-13(4)9-7-8-12(2)3/h8,13,15H,6-7,9-11H2,1-5H3 |
| InChIKey | BZULFYOHGJEUIX-UHFFFAOYSA-N |
| Mol Weight | 212.38 g/mol |
| Molecular Formula | C14H28O |
| Exact Mass | 212.214016 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | J2c1ZVBQV08 |
|---|---|
| Name | 3,6,10-Trimethylundec-9-en-3-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.214015521 u |
| Formula | C14H28O |
| InChI | InChI=1S/C14H28O/c1-6-14(5,15)11-10-13(4)9-7-8-12(2)3/h8,13,15H,6-7,9-11H2,1-5H3 |
| InChIKey | BZULFYOHGJEUIX-UHFFFAOYSA-N |
| Molecular Weight | 212.377 g/mol |
| SMILES | C(CC=C(C)C)C(C)CCC(O)(C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934659 |