| SpectraBase Spectrum ID |
8ACFIZbUKYV |
| Name |
1,3-Cyclopentadiene-1,2,3,4-tetracarboxylic acid, 5-(2(1H)-pyridinylidene)-, tetramethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
375.095416503 u |
| Formula |
C18H17NO8 |
| InChI |
InChI=1S/C18H17NO8/c1-24-15(20)11-10(9-7-5-6-8-19-9)12(16(21)25-2)14(18(23)27-4)13(11)17(22)26-3/h5-8,19H,1-4H3 |
| InChIKey |
SHXOEZLOFMBJSN-UHFFFAOYSA-N |
| Molecular Weight |
375.333 g/mol |
| SMILES |
C1(C(=C(C(=O)OC)C(=C1C(=O)OC)C(=O)OC)C(=O)OC)=C1NC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979524 |
