SpectraBase Spectrum ID |
6cJkbEMvy5a |
Name |
5H-Benzocyclononen-5-one, 6,7,8,9,10,11-hexahydro-2-methoxy- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
218.130679818 u |
Formula |
C14H18O2 |
InChI |
InChI=1S/C14H18O2/c1-16-12-8-9-13-11(10-12)6-4-2-3-5-7-14(13)15/h8-10H,2-7H2,1H3 |
InChIKey |
KOVYEEMNZPFMDE-UHFFFAOYSA-N |
Molecular Weight |
218.296 g/mol |
SMILES |
C1=2C(=CC(=CC2)OC)CCCCCCC1=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963549 |