| SpectraBase Spectrum ID |
9mAjgr6QZGt |
| Name |
3-(4-Nitrophenyl)cyclopropane-1,1,2,2-tetracarboxylic acid tetramethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
395.085245741 u |
| Formula |
C17H17NO10 |
| InChI |
InChI=1S/C17H17NO10/c1-25-12(19)16(13(20)26-2)11(9-5-7-10(8-6-9)18(23)24)17(16,14(21)27-3)15(22)28-4/h5-8,11H,1-4H3 |
| InChIKey |
IVMXUCWEMFZIKQ-UHFFFAOYSA-N |
| Molecular Weight |
395.320 g/mol |
| SMILES |
C1(C(C(=O)OC)(C(=O)OC)C1C1=CC=C(N(=O)=O)C=C1)(C(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942122 |
