| SpectraBase Spectrum ID |
9yau8YPwGEt |
| Name |
(E)-1,1-Dimethyl-4-tert-butyl-but-3-ene-1,1,4-tricarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.125988358 u |
| Formula |
C13H20O6 |
| InChI |
InChI=1S/C13H20O6/c1-13(2,3)19-10(14)8-6-7-9(11(15)17-4)12(16)18-5/h6,8-9H,7H2,1-5H3/b8-6+ |
| InChIKey |
KZBQUMZAJRKDIJ-SOFGYWHQSA-N |
| Molecular Weight |
272.297 g/mol |
| SMILES |
C(C(C\C=C\C(OC(C)(C)C)=O)C(=O)OC)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946343 |
