| SpectraBase Spectrum ID |
5SsdD7YzKBB |
| Name |
Glutaric acid, di(1-(cyclohex-2-enyl)hex-3-yl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
460.355260022 u |
| Formula |
C29H48O4 |
| InChI |
InChI=1S/C29H48O4/c1-3-12-26(22-20-24-14-7-5-8-15-24)32-28(30)18-11-19-29(31)33-27(13-4-2)23-21-25-16-9-6-10-17-25/h7,9,14,16,24-27H,3-6,8,10-13,15,17-23H2,1-2H3 |
| InChIKey |
MLGJUOQVXOIHTH-UHFFFAOYSA-N |
| Molecular Weight |
460.699 g/mol |
| SMILES |
C(CCC(OC(CCC)CCC1CCCC=C1)=O)C(OC(CCC)CCC1C=CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.80767 |
