| SpectraBase Spectrum ID |
L35v0ly9vCX |
| Name |
4-[2-Amino-5-nitro-4-(2-phenylethynyl)phenyl]-2-methyl-3-butyn-2-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.116092380 u |
| Formula |
C19H16N2O3 |
| InChI |
InChI=1S/C19H16N2O3/c1-19(2,22)11-10-15-13-18(21(23)24)16(12-17(15)20)9-8-14-6-4-3-5-7-14/h3-7,12-13,22H,20H2,1-2H3 |
| InChIKey |
GVZQKEXGNCSWRH-UHFFFAOYSA-N |
| Molecular Weight |
320.348 g/mol |
| SMILES |
C=1(N)C(=CC(=C(C1)C#CC=1C=CC=CC1)N(=O)=O)C#CC(C)(C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95683 |
![4-[2-Amino-5-nitro-4-(2-phenylethynyl)phenyl]-2-methyl-3-butyn-2-ol](/api/spectrum/L35v0ly9vCX/structure.png?h=300&w=458 "4-[2-Amino-5-nitro-4-(2-phenylethynyl)phenyl]-2-methyl-3-butyn-2-ol")
