SpectraBase Spectrum ID |
IkoNHCkxKsZ |
Name |
1,3,3-Trimethylindolin-5-yl 3-chlorophenylcarbamate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
330.113505558 u |
Formula |
C18H19ClN2O2 |
InChI |
InChI=1S/C18H19ClN2O2/c1-18(2)11-21(3)16-8-7-14(10-15(16)18)23-17(22)20-13-6-4-5-12(19)9-13/h4-10H,11H2,1-3H3,(H,20,22) |
InChIKey |
OJNMNLZSFGGYNQ-UHFFFAOYSA-N |
Molecular Weight |
330.815 g/mol |
SMILES |
C1=C(NC(=O)OC2=CC=C3C(=C2)C(C)(C)CN3C)C=C(C=C1)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.82273 |