| SpectraBase Spectrum ID |
177HdP6dh0X |
| Name |
cis-4'-Iodo-3-(o-hydroxyanilino)acrylophenone, acetate(ester) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
407.001838312 u |
| Formula |
C17H14INO3 |
| InChI |
InChI=1S/C17H14INO3/c1-12(20)22-17-5-3-2-4-15(17)19-11-10-16(21)13-6-8-14(18)9-7-13/h2-11,19H,1H3/b11-10- |
| InChIKey |
NIMOBWHIVUPRMK-KHPPLWFESA-N |
| Molecular Weight |
407.207 g/mol |
| SMILES |
N(\C=C/C(C=1C=CC(=CC1)I)=O)C=1C(=CC=CC1)OC(=O)C |
| Spectrum/Structure Validation Score (Raman) |
0.949693 |
