| SpectraBase Compound ID | 1SBW6uYYlhu |
|---|---|
| InChI | InChI=1S/C19H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18-19(21)17-20/h7-8,19-21H,2-6,9-18H2,1H3/b8-7- |
| InChIKey | PSVKKHOBUGRNBK-FPLPWBNLSA-N |
| Mol Weight | 314.5 g/mol |
| Molecular Formula | C19H38O3 |
| Exact Mass | 314.282095 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9XXQ9JNkxNh |
|---|---|
| Name | 3-(cis-9-Hexadecenyloxy)-1,2-propanediol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.282095081 u |
| Formula | C19H38O3 |
| InChI | InChI=1S/C19H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18-19(21)17-20/h7-8,19-21H,2-6,9-18H2,1H3/b8-7- |
| InChIKey | PSVKKHOBUGRNBK-FPLPWBNLSA-N |
| SMILES | OC(CO)COCCCCCCCC\C=C/CCCCCC |
| Spectrum/Structure Validation Score (Raman) | 0.997455 |