| SpectraBase Spectrum ID |
1AJwnme7zxX |
| Name |
N-(2-Amino-2-keto-ethyl)-4-(3-hydroxy-3-methyl-but-1-ynyl)benzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.116092380 u |
| Formula |
C14H16N2O3 |
| InChI |
InChI=1S/C14H16N2O3/c1-14(2,19)8-7-10-3-5-11(6-4-10)13(18)16-9-12(15)17/h3-6,19H,9H2,1-2H3,(H2,15,17)(H,16,18) |
| InChIKey |
UXFDFTIVIOLLOO-UHFFFAOYSA-N |
| Molecular Weight |
260.293 g/mol |
| SMILES |
C(#CC=1C=CC(C(NCC(=O)N)=O)=CC1)C(O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942931 |
