| SpectraBase Spectrum ID |
LQcSkotpYFn |
| Name |
Methyl 5-(3-nitrophenyl)-8-phenylspiro[2.5]oct-7-ene-4-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
363.147058156 u |
| Formula |
C22H21NO4 |
| InChI |
InChI=1S/C22H21NO4/c1-27-21(24)20-18(16-8-5-9-17(14-16)23(25)26)10-11-19(22(20)12-13-22)15-6-3-2-4-7-15/h2-9,11,14,18,20H,10,12-13H2,1H3 |
| InChIKey |
NSJBOWNJWJEVRD-UHFFFAOYSA-N |
| Molecular Weight |
363.413 g/mol |
| SMILES |
C1CC11C(C(CC=C1C=1C=CC=CC1)C=1C=C(C=CC1)N(=O)=O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902891 |
![Methyl 5-(3-nitrophenyl)-8-phenylspiro[2.5]oct-7-ene-4-carboxylate](/api/spectrum/LQcSkotpYFn/structure.png?h=300&w=458 "Methyl 5-(3-nitrophenyl)-8-phenylspiro[2.5]oct-7-ene-4-carboxylate")
