| SpectraBase Spectrum ID |
1qwbyxAdtCZ |
| Name |
Methyl 8-hydroxytetradec-6-ynoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
254.188194694 u |
| Formula |
C15H26O3 |
| InChI |
InChI=1S/C15H26O3/c1-3-4-5-8-11-14(16)12-9-6-7-10-13-15(17)18-2/h14,16H,3-8,10-11,13H2,1-2H3 |
| InChIKey |
MTKNOFHKLAUUJG-UHFFFAOYSA-N |
| Molecular Weight |
254.370 g/mol |
| SMILES |
C(#CCCCCC(=O)OC)C(O)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863956 |
