| SpectraBase Spectrum ID |
KmBL5S3lEBk |
| Name |
Pimelic acid, di(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 |
472.376389388 u |
| Formula |
C27H52O6 |
| InChI |
InChI=1S/C27H52O6/c1-5-7-10-14-24(18-20-30-3)22-32-26(28)16-12-9-13-17-27(29)33-23-25(19-21-31-4)15-11-8-6-2/h24-25H,5-23H2,1-4H3 |
| InChIKey |
ICEMGFSATXUTGS-UHFFFAOYSA-N |
| Molecular Weight |
472.707 g/mol |
| SMILES |
C(OCC(CCOC)CCCCC)(=O)CCCCCC(OCC(CCCCC)CCOC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.990897 |
