| SpectraBase Spectrum ID |
9P7aAkXk2st |
| Name |
Glutaric acid, 3-methylbutyl tridec-2-yn-1-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.292659764 u |
| Formula |
C23H40O4 |
| InChI |
InChI=1S/C23H40O4/c1-4-5-6-7-8-9-10-11-12-13-14-19-26-22(24)16-15-17-23(25)27-20-18-21(2)3/h21H,4-12,15-20H2,1-3H3 |
| InChIKey |
JANKHBOOFSPMDY-UHFFFAOYSA-N |
| Molecular Weight |
380.569 g/mol |
| SMILES |
C(CCC(OCC#CCCCCCCCCCC)=O)C(OCCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848021 |
