| SpectraBase Spectrum ID |
2HROqzV9H9U |
| Name |
Fumaric acid, hexyl 2-methyl-4-methoxybutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.193673997 u |
| Formula |
C16H28O5 |
| InChI |
InChI=1S/C16H28O5/c1-4-5-6-7-11-20-15(17)8-9-16(18)21-13-14(2)10-12-19-3/h8-9,14H,4-7,10-13H2,1-3H3/b9-8+ |
| InChIKey |
OFGCUEBOAYYBJD-CMDGGOBGSA-N |
| Molecular Weight |
300.395 g/mol |
| SMILES |
C(OCC(CCOC)C)(\C=C\C(OCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.809471 |
