SpectraBase Spectrum ID |
9ZMJtznyxad |
Name |
5endo-Deuterio-6-deuteriomethyl-7-oxatetracyclo[6.4.0(2,6).0(4,9)]dodecane |
Comments |
Less than 3 mono-isotopic peaks |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C12H16D2O |
InChI |
InChI=1S/C12H18O/c1-12-6-7-5-10(12)9-4-2-3-8(7)11(9)13-12/h7-11H,2-6H2,1H3/t7-,8-,9+,10-,11+,12-/m0/s1/i1D,6D/t6-,7+,8+,9-,10+,11-,12+/m1 |
InChIKey |
IOZZVFPFMVELJE-IENDLIRHSA-N |
Molecular Weight |
180.287 g/mol |
SMILES |
[C@@]12(O[C@]3([C@]4([C@@]2(C[C@@]([C@]1([2D])[H])([C@@]3(CCC4)[H])[H])[H])[H])[H])C[2D] |
SPLASH |
splash10-00di-0900000000-f900608d18729aceb993 |
Source of Spectrum |
H-64-821-0 |
Wiley ID |
1174844 |