SpectraBase Spectrum ID |
I1ms3ck1HUO |
Name |
Tricyclo[7.1.0.0(4.6)]decane-5-carboxamide, 10,10-dichloro-N-(3-chloro-2-methylphenyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
371.061047367 u |
Formula |
C18H20Cl3NO |
InChI |
InChI=1S/C18H20Cl3NO/c1-9-14(19)3-2-4-15(9)22-17(23)16-10-5-7-12-13(18(12,20)21)8-6-11(10)16/h2-4,10-13,16H,5-8H2,1H3,(H,22,23) |
InChIKey |
BUSIBDFYVAXSCG-UHFFFAOYSA-N |
Molecular Weight |
372.723 g/mol |
SMILES |
C1(C2CCC3C(CCC12)C3C(NC=1C(=C(C=CC1)Cl)C)=O)(Cl)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911613 |