SpectraBase Spectrum ID |
LxPxxi4LSM3 |
Name |
9-Methyltetracyclo[7.3.1.0(2.7).1(7.11)]tetradecane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
204.187800773 u |
Formula |
C15H24 |
InChI |
InChI=1S/C15H24/c1-14-7-11-6-12(9-14)13-4-2-3-5-15(13,8-11)10-14/h11-13H,2-10H2,1H3/t11-,12+,13+,14-,15-/m1/s1 |
InChIKey |
REBDIFQBUGHVDB-GZBLMMOJSA-N |
Molecular Weight |
204.357 g/mol |
SMILES |
[C@]12(C[C@@]3(C[C@@]4(C2)CCCC[C@]4([C@](C1)(C3)[H])[H])[H])C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891605 |