| SpectraBase Spectrum ID |
1liuSf0ZVID |
| Name |
Glutaric acid, di(myrtenyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.261359635 u |
| Formula |
C25H36O4 |
| InChI |
InChI=1S/C25H36O4/c1-24(2)18-10-8-16(20(24)12-18)14-28-22(26)6-5-7-23(27)29-15-17-9-11-19-13-21(17)25(19,3)4/h8-9,18-21H,5-7,10-15H2,1-4H3 |
| InChIKey |
IPAYWXFLWLCLLO-UHFFFAOYSA-N |
| Molecular Weight |
400.559 g/mol |
| SMILES |
C(C(OCC=1C2C(C(CC1)C2)(C)C)=O)CCC(OCC=1C2C(C)(C)C(CC1)C2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.98032 |
