SpectraBase Spectrum ID |
2pCiginpK9h |
Name |
4-Hydroxy-10-methyl-10-azatricyclo[6.4.1.0(2,7)]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 |
203.131014170 u |
Formula |
C13H17NO |
InChI |
InChI=1S/C13H17NO/c1-14-5-4-9-6-10(8-14)12-3-2-11(15)7-13(9)12/h2-3,7,9-10,15H,4-6,8H2,1H3 |
InChIKey |
GCANOKZFQFSVBU-UHFFFAOYSA-N |
Molecular Weight |
203.285 g/mol |
SMILES |
C1=CC=2C3CC(C2C=C1O)CCN(C3)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881058 |