SpectraBase Spectrum ID |
Eha9hRlOf0J |
Name |
1-(T-Butylamino)-4-(3'-nitrophenyl)but-3-en-2-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
264.147392509 u |
Formula |
C14H20N2O3 |
InChI |
InChI=1S/C14H20N2O3/c1-14(2,3)15-10-13(17)8-7-11-5-4-6-12(9-11)16(18)19/h4-9,13,15,17H,10H2,1-3H3/b8-7+ |
InChIKey |
CEZHBEWCEALQHH-BQYQJAHWSA-N |
SMILES |
C1(N(=O)=O)=CC(\C=C\C(CNC(C)(C)C)O)=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917332 |