| SpectraBase Spectrum ID |
2m0dSXpEnw1 |
| Name |
Clemizole-m (ho-) artifact-2 ac P992 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.082205429 u |
| Formula |
C17H15ClN2O2 |
| InChI |
InChI=1S/C17H15ClN2O2/c1-11-19-16-8-7-15(22-12(2)21)9-17(16)20(11)10-13-3-5-14(18)6-4-13/h3-9,19H,1,10H2,2H3 |
| InChIKey |
BLPSXARMUAIUFP-UHFFFAOYSA-N |
| Molecular Weight |
314.772 g/mol |
| SMILES |
CC(OC=1C=C2N(C(NC2=CC1)=C)CC=1C=CC(=CC1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841616 |
