| SpectraBase Compound ID | KtcRUU2N6dw |
|---|---|
| InChI | InChI=1S/C13H28O2/c1-2-3-7-10-13(15)11-8-5-4-6-9-12-14/h13-15H,2-12H2,1H3 |
| InChIKey | ZVQHHUQVAHVJIY-UHFFFAOYSA-N |
| Mol Weight | 216.36 g/mol |
| Molecular Formula | C13H28O2 |
| Exact Mass | 216.20893 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | C5YfCmic3LR |
|---|---|
| Name | 1,8-Tridecanediol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.208930140 u |
| Formula | C13H28O2 |
| InChI | InChI=1S/C13H28O2/c1-2-3-7-10-13(15)11-8-5-4-6-9-12-14/h13-15H,2-12H2,1H3 |
| InChIKey | ZVQHHUQVAHVJIY-UHFFFAOYSA-N |
| Molecular Weight | 216.365 g/mol |
| SMILES | C(O)(CCCCCCCO)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.89488 |