SpectraBase Spectrum ID |
KRmF55CtBX2 |
Name |
Decahydro-8A-ethyl-1,1,4A,6-tetramethylnaphthalene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
222.234750966 u |
Formula |
C16H30 |
InChI |
InChI=1S/C16H30/c1-6-16-11-8-13(2)12-15(16,5)10-7-9-14(16,3)4/h13H,6-12H2,1-5H3 |
InChIKey |
CLRULWBJJWDXOA-UHFFFAOYSA-N |
Molecular Weight |
222.416 g/mol |
SMILES |
C1C(CC2(C(C1)(C(CCC2)(C)C)CC)C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947717 |