| SpectraBase Spectrum ID |
EaLT5zD2TYN |
| Name |
5-Ethyl 2-methyl 3-hydroxy-4-methyl-4'-nitrobiphenyl-2,5-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
359.100501884 u |
| Formula |
C18H17NO7 |
| InChI |
InChI=1S/C18H17NO7/c1-4-26-17(21)13-9-14(11-5-7-12(8-6-11)19(23)24)15(18(22)25-3)16(20)10(13)2/h5-9,20H,4H2,1-3H3 |
| InChIKey |
UZLQUMRFCYOOMY-UHFFFAOYSA-N |
| Molecular Weight |
359.334 g/mol |
| SMILES |
C=1(C(=CC(=C(C1O)C)C(=O)OCC)C=1C=CC(N(=O)=O)=CC1)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.807765 |
