| SpectraBase Spectrum ID |
8u46wF4tyxw |
| Name |
Fumaric acid, di(5-methoxy-3-methylpentyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.219888744 u |
| Formula |
C18H32O6 |
| InChI |
InChI=1S/C18H32O6/c1-15(7-11-21-3)9-13-23-17(19)5-6-18(20)24-14-10-16(2)8-12-22-4/h5-6,15-16H,7-14H2,1-4H3/b6-5+ |
| InChIKey |
CFFSEUBZBIUMFL-AATRIKPKSA-N |
| Molecular Weight |
344.448 g/mol |
| SMILES |
C(OC(\C=C\C(OCCC(CCOC)C)=O)=O)CC(CCOC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.987886 |
