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5endo-Deuterio-6-deuteriomethyl-7-oxatetracyclo[6.4.0(2,6).0(4,9)]dodecane
SpectraBase Compound ID AP6KUSc9XDR
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
Mol Weight 180.29 g/mol
Molecular Formula C12H162D2O
Exact Mass 180.148319 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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