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4,2,8-Ethanylylidene-2H-1-benzopyran, octahydro-2-(methyl-D)-
SpectraBase Compound ID C2a2fd9u7Hx
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
InChIKey IOZZVFPFMVELJE-LODIDBNRSA-N
Mol Weight 179.28 g/mol
Molecular Formula C12H172DO
Exact Mass 179.142042 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1vkzivaIOw9
Name 4,2,8-Ethanylylidene-2H-1-benzopyran, octahydro-2-(methyl-D)-
Alternate Name(s) 6-Deuteriomethyl-7-oxatetracyclo[6.4.0(2,6).0(4,9)]dodecane
CAS Registry Number 78596-03-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17DO
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
InChIKey IOZZVFPFMVELJE-LODIDBNRSA-N
Molecular Weight 179.281 g/mol
SMILES [C@@]12(O[C@]3([C@]4([C@@]2(C[C@@](C1)([C@@]3(CCC4)[H])[H])[H])[H])[H])C[2D]
SPLASH splash10-00dl-5900000000-ec96490850b855f620ef
Source of Spectrum H-64-821-0
Wiley ID 1174845