| SpectraBase Spectrum ID |
IuzXKvecT1e |
| Name |
Glutaric acid, tridec-2-yn-1-yl geranyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
446.339609957 u |
| Formula |
C28H46O4 |
| InChI |
InChI=1S/C28H46O4/c1-5-6-7-8-9-10-11-12-13-14-15-23-31-27(29)20-17-21-28(30)32-24-22-26(4)19-16-18-25(2)3/h18,22H,5-13,16-17,19-21,23-24H2,1-4H3/b26-22+ |
| InChIKey |
DSOMJUDCKJWNON-XTCLZLMSSA-N |
| Molecular Weight |
446.672 g/mol |
| SMILES |
C(CCC(OCC#CCCCCCCCCCC)=O)C(OC\C=C\(CCC=C(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889219 |
