SpectraBase Spectrum ID |
CSES8MlDb4h |
Name |
Spiro[2H-indole-2,4'-[4H]pyrazol]-3'(2'H)-one, 5-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(10-12-9-13(18)7-8-15(12)19-17)16(22)21(20-11)14-5-3-2-4-6-14/h2-9,19H,10H2,1H3 |
InChIKey |
GFDLRCFPWZEFIP-UHFFFAOYSA-N |
Molecular Weight |
311.772 g/mol |
SMILES |
C12(C(N(C=3C=CC=CC3)N=C1C)=O)NC=1C=CC(=CC1C2)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894789 |