SpectraBase Spectrum ID |
9W8oMhi3QJb |
Name |
(E)-5-((1R,3R,6S)-2,3-Dimethyltricyclo[2.2.1.02,6]heptan-3-yl)-2-methylpent-2-enoic acid |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
234.161979946 u |
Formula |
C15H22O2 |
InChI |
InChI=1S/C15H22O2/c1-9(13(16)17)5-4-6-14(2)10-7-11-12(8-10)15(11,14)3/h5,10-12H,4,6-8H2,1-3H3,(H,16,17)/b9-5+/t10-,11+,12-,14-,15+/m1/s1 |
InChIKey |
NZSCHTYUGUVLHG-JPPNKFBCSA-N |
Molecular Weight |
234.339 g/mol |
SMILES |
[C@@]12(C[C@]3([C@]([C@@]2([C@@]1(C3)[H])C)(CC\C=C\(C(=O)O)C)C)[H])[H] |