SpectraBase Spectrum ID |
9CMU0xQV6yW |
Name |
10-Methyl-10-azatricyclo[6.4.1.0(2,6)trideca-2,4,6-triene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
187.136099551 u |
Formula |
C13H17N |
InChI |
InChI=1S/C13H17N/c1-14-7-6-10-8-11(9-14)13-5-3-2-4-12(10)13/h2-5,10-11H,6-9H2,1H3 |
InChIKey |
UZKBDTHHYOQQBV-UHFFFAOYSA-N |
Molecular Weight |
187.286 g/mol |
SMILES |
C1=CC=C2C(=C1)C1CC2CCN(C1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899795 |