SpectraBase Spectrum ID |
HaWNzDGHiw2 |
Name |
Spiro[2H-indole-2,4'-[4H]pyrazol]-3'(2'H)-one, 7-chloro-1,3-dihydro-5'-methyl-2'-phenyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
311.082539782 u |
Formula |
C17H14ClN3O |
InChI |
InChI=1S/C17H14ClN3O/c1-11-17(10-12-6-5-9-14(18)15(12)19-17)16(22)21(20-11)13-7-3-2-4-8-13/h2-9,19H,10H2,1H3 |
InChIKey |
APZXXXFIGFACNN-UHFFFAOYSA-N |
Molecular Weight |
311.772 g/mol |
SMILES |
C12(C(N(C=3C=CC=CC3)N=C1C)=O)NC=1C(Cl)=CC=CC1C2 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.817527 |