| SpectraBase Spectrum ID |
LrSn44avUWv |
| Name |
Succinic acid, isohexyl 2-(2-methoxyethyl)heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.271924319 u |
| Formula |
C20H38O5 |
| InChI |
InChI=1S/C20H38O5/c1-5-6-7-10-18(13-15-23-4)16-25-20(22)12-11-19(21)24-14-8-9-17(2)3/h17-18H,5-16H2,1-4H3 |
| InChIKey |
LZRHIXCSMIZYHV-UHFFFAOYSA-N |
| Molecular Weight |
358.519 g/mol |
| SMILES |
C(C(OCC(CCOC)CCCCC)=O)CC(OCCCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898801 |
