SpectraBase Spectrum ID |
9KBTefMeitR |
Name |
Bicyclo[5.2.0]nonane, 4,8,8-trimethyl-2-methylene- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
178.172150708 u |
Formula |
C13H22 |
InChI |
InChI=1S/C13H22/c1-9-5-6-12-11(10(2)7-9)8-13(12,3)4/h9,11-12H,2,5-8H2,1,3-4H3 |
InChIKey |
CFCIQXMABLORQZ-UHFFFAOYSA-N |
Molecular Weight |
178.319 g/mol |
SMILES |
C=C1C2CC(C2CCC(C1)C)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.831773 |