| SpectraBase Spectrum ID |
1vpRKAWh18L |
| Name |
T-Butyl ethyl 1-methyl 2,2-bis(ethoxycarbonyl)hept-6-ene-5,6-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.225368047 u |
| Formula |
C21H34O8 |
| InChI |
InChI=1S/C21H34O8/c1-9-26-16(22)14(4)15(17(23)29-20(5,6)7)12-13-21(8,18(24)27-10-2)19(25)28-11-3/h15H,4,9-13H2,1-3,5-8H3 |
| InChIKey |
OIXYJESBWFKZQD-UHFFFAOYSA-N |
| Molecular Weight |
414.495 g/mol |
| SMILES |
C(C(=O)OCC)(C(=O)OCC)(CCC(C(OC(C)(C)C)=O)C(C(=O)OCC)=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.828491 |
