| SpectraBase Compound ID | ESMbQws16EO |
|---|---|
| InChI | InChI=1S/C16H32O3/c1-3-4-9-12-16(18)13-10-7-5-6-8-11-14-19-15(2)17/h16,18H,3-14H2,1-2H3 |
| InChIKey | LYXBHVZHPWZSGB-UHFFFAOYSA-N |
| Mol Weight | 272.4 g/mol |
| Molecular Formula | C16H32O3 |
| Exact Mass | 272.235145 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L7Kbkvz3HeH |
|---|---|
| Name | 1,9-Tetradecanediol, 1-acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.235144887 u |
| Formula | C16H32O3 |
| InChI | InChI=1S/C16H32O3/c1-3-4-9-12-16(18)13-10-7-5-6-8-11-14-19-15(2)17/h16,18H,3-14H2,1-2H3 |
| InChIKey | LYXBHVZHPWZSGB-UHFFFAOYSA-N |
| SMILES | C(=O)(OCCCCCCCCC(O)CCCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.915985 |