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1,4-Dioxaspiro[4.5]dec-9-ene-6-propanenitrile, .beta.,9-dimethyl-, (R*,R*)-
SpectraBase Compound ID BECLoebKeTB
InChI InChI=1S/C13H19NO2/c1-10-3-4-12(11(2)5-6-14)13(9-10)15-7-8-16-13/h9,11-12H,3-5,7-8H2,1-2H3/t11-,12-/m1/s1
InChIKey UMNRSLKZJUMZDK-VXGBXAGGSA-N
Mol Weight 221.3 g/mol
Molecular Formula C13H19NO2
Exact Mass 221.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6fjboKsDxDv
Name 1,4-Dioxaspiro[4.5]dec-9-ene-6-propanenitrile, .beta.,9-dimethyl-, (R*,R*)-
Alternate Name(s) (3R)-3-[(6R)-9-methyl-1,4-dioxaspiro[4.5]dec-9-en-6-yl]butanenitrile 3-(2'-Ethylenedioxy-4'-methylcyclohex-3'-en-1'-yl)butanenitrile
CAS Registry Number 62048-12-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19NO2
InChI InChI=1S/C13H19NO2/c1-10-3-4-12(11(2)5-6-14)13(9-10)15-7-8-16-13/h9,11-12H,3-5,7-8H2,1-2H3/t11-,12-/m1/s1
InChIKey UMNRSLKZJUMZDK-VXGBXAGGSA-N
Molecular Weight 221.300 g/mol
SMILES C12(C=C(C)CC[C@@]2([C@@](CC#N)(C)[H])[H])OCCO1
SPLASH splash10-01ox-9500000000-1612c9605e5be18b64d0
Source of Spectrum H-59-707-18
Wiley ID 1221381