| SpectraBase Spectrum ID |
J7ntzY54qmF |
| Name |
2,4-Cyclopentadiene-1,1,2,3,4-pentacarboxylic acid, 5-(2-ethoxy-2-oxoethyl)-, pentamethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
442.111126136 u |
| Formula |
C19H22O12 |
| InChI |
InChI=1S/C19H22O12/c1-7-31-10(20)8-9-11(14(21)26-2)12(15(22)27-3)13(16(23)28-4)19(9,17(24)29-5)18(25)30-6/h7-8H2,1-6H3 |
| InChIKey |
HBHHEFWOTSXZIY-UHFFFAOYSA-N |
| Molecular Weight |
442.373 g/mol |
| SMILES |
C1(C(=C(C(=O)OC)C(=C1CC(=O)OCC)C(=O)OC)C(=O)OC)(C(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948098 |
