SpectraBase Spectrum ID |
IWraJavi3nZ |
Name |
(+)-(1S,3R)-4(S)(A)-isopropyl-4(R)(E)-methyladamantan-2-one |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
206.167065327 u |
Formula |
C14H22O |
InChI |
InChI=1S/C14H22O/c1-8(2)3-12-10-4-9-5-11(7-10)14(15)13(12)6-9/h8-13H,3-7H2,1-2H3/t9?,10-,11+,12-,13-/m1/s1 |
InChIKey |
HSTOZZUKCWKOPG-ZLOUSURVSA-N |
Molecular Weight |
206.329 g/mol |
SMILES |
[C@@]12(C([C@@]3([H])CC(C2)C[C@@]([C@]1(CC(C)C)[H])(C3)[H])=O)[H] |