SpectraBase Spectrum ID |
3aR6wIinisB |
Name |
Tricyclo[6.3.0.0(1,5)]undecan-4-one, 5,9-dimethyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
192.151415263 u |
Formula |
C13H20O |
InChI |
InChI=1S/C13H20O/c1-9-3-7-13-8-5-11(14)12(13,2)6-4-10(9)13/h9-10H,3-8H2,1-2H3 |
InChIKey |
CMBDIOGRTPUTNX-UHFFFAOYSA-N |
Molecular Weight |
192.302 g/mol |
SMILES |
CC1CCC23C1CCC3(C)C(=O)CC2 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.846941 |