SpectraBase Spectrum ID |
D5mdWhuV6MH |
Name |
(R-8,C-9)-1-{8-Methylbicyclo[5.4.0]undec-1(7)-en-9-yl}ethan-1-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
206.167065327 u |
Formula |
C14H22O |
InChI |
InChI=1S/C14H22O/c1-10-13(11(2)15)9-8-12-6-4-3-5-7-14(10)12/h10,13H,3-9H2,1-2H3/t10-,13-/m0/s1 |
InChIKey |
FZUHRIVBSJRORP-GWCFXTLKSA-N |
Molecular Weight |
206.329 g/mol |
SMILES |
C1=2[C@]([C@@](C(=O)C)(CCC2CCCCC1)[H])(C)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898995 |