| SpectraBase Spectrum ID |
2NMqi3lTwyg |
| Name |
Fumaric acid, 2,4,4-trimethylpentyl hept-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.245709571 u |
| Formula |
C19H34O4 |
| InChI |
InChI=1S/C19H34O4/c1-7-8-9-10-16(3)23-18(21)12-11-17(20)22-14-15(2)13-19(4,5)6/h11-12,15-16H,7-10,13-14H2,1-6H3/b12-11+ |
| InChIKey |
KKIANBFWNYWUBX-VAWYXSNFSA-N |
| Molecular Weight |
326.477 g/mol |
| SMILES |
C(\C=C\C(OC(C)CCCCC)=O)(OCC(CC(C)(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911647 |
