| SpectraBase Spectrum ID |
DwcgvvLgcRf |
| Name |
3-Hydroxymethyl heptadecanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.266445016 u |
| Formula |
C18H36O3 |
| InChI |
InChI=1S/C18H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18(20)21-2/h17,19H,3-16H2,1-2H3 |
| InChIKey |
OJTSKRLQHYPZAM-UHFFFAOYSA-N |
| Molecular Weight |
300.483 g/mol |
| SMILES |
C(CCCCCCCCCCCC(O)CC(OC)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852775 |
