| SpectraBase Spectrum ID |
EMu9LeQNkS |
| Name |
Heptadecanoic acid, 15-methyl-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.302830526 u |
| Formula |
C20H40O2 |
| InChI |
InChI=1S/C20H40O2/c1-4-19(3)17-15-13-11-9-7-6-8-10-12-14-16-18-20(21)22-5-2/h19H,4-18H2,1-3H3 |
| InChIKey |
XTUIETPOMPQEIS-UHFFFAOYSA-N |
| Molecular Weight |
312.538 g/mol |
| SMILES |
C(CCC(OCC)=O)CCCCCCCCCCC(CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95273 |
