| SpectraBase Spectrum ID |
5MO3uGm5YuO |
| Name |
(Z)-2-(4-Methoxyphenyl)-4-(4-nitrophenyl)but-2-en-1-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
299.115758027 u |
| Formula |
C17H17NO4 |
| InChI |
InChI=1S/C17H17NO4/c1-22-17-10-6-14(7-11-17)15(12-19)5-2-13-3-8-16(9-4-13)18(20)21/h3-11,19H,2,12H2,1H3/b15-5+ |
| InChIKey |
ZXVRBHZFNKCOSI-PJQLUOCWSA-N |
| SMILES |
C=1(C=CC(\C(=C\CC2=CC=C(C=C2)[N+](=O)[O-])CO)=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895939 |
