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(4S,5S,2R/S)-Benzo[1,3]dioxol-5-yl[N-(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)methylamino]acetonitrile
SpectraBase Compound ID DoxopyvoXii
InChI InChI=1S/C22H24N2O4/c1-22(2)27-13-18(21(28-22)15-7-5-4-6-8-15)24(3)17(12-23)16-9-10-19-20(11-16)26-14-25-19/h4-11,17-18,21H,13-14H2,1-3H3
InChIKey IIRVAOYLUBOTEB-UHFFFAOYSA-N
Mol Weight 380.44 g/mol
Molecular Formula C22H24N2O4
Exact Mass 380.173607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C5HVP2cuAuY
Name (4S,5S,2R/S)-Benzo[1,3]dioxol-5-yl[N-(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)methylamino]acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24N2O4
InChI InChI=1S/C22H24N2O4/c1-22(2)27-13-18(21(28-22)15-7-5-4-6-8-15)24(3)17(12-23)16-9-10-19-20(11-16)26-14-25-19/h4-11,17-18,21H,13-14H2,1-3H3
InChIKey IIRVAOYLUBOTEB-UHFFFAOYSA-N
Molecular Weight 380.444 g/mol
SMILES C1(N(C(c2cc3OCOc3cc2)C#N)C)C(OC(OC1)(C)C)c1ccccc1
SPLASH splash10-0400-1940000000-32b4149ce0bafaae6838
Source of Spectrum J-73-9643-3a
Synonyms Benzo[1,3]dioxol-5-yl-[(2',2'-dimethyl-4'-phenyl[1,3]dioxan-5'-yl)methylamino]acetonitrile 1,3-benzodioxol-5-yl[(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)(methyl)amino]acetonitrile
Wiley ID 1668836