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(S,S,R/S)-1-(Benzo[d]-(1,3)-dioxol-6'-yl)-2-[methyl-[(4S,5S)-2',2'-dimethyl-4'-phenyl-1',3'-dioxan-5'-yl)amino]-acetonitrile

View entire compound with spectra: 1 MS (GC)

(S,S,R/S)-1-(Benzo[d]-(1,3)-dioxol-6'-yl)-2-[methyl-[(4S,5S)-2',2'-dimethyl-4'-phenyl-1',3'-dioxan-5'-yl)amino]-acetonitrile
SpectraBase Compound ID C7YjJGtecEr
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/t17?,18-,21-/m0/s1
InChIKey IIRVAOYLUBOTEB-VLQCZPCNSA-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 29TMA9t5608
Name (S,S,R/S)-1-(Benzo[d]-(1,3)-dioxol-6'-yl)-2-[methyl-[(4S,5S)-2',2'-dimethyl-4'-phenyl-1',3'-dioxan-5'-yl)amino]-acetonitrile
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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/t17?,18-,21-/m0/s1
InChIKey IIRVAOYLUBOTEB-VLQCZPCNSA-N
Molecular Weight 380.444 g/mol
SMILES [C@]1(N(C(c2cc3OCOc3cc2)C#N)C)([C@@](OC(OC1)(C)C)(c1ccccc1)[H])[H]
SPLASH splash10-0400-0950000000-ac36c9aef181368c6358
Source of Spectrum H-2005-1989-0
Synonyms 2-(1,3-benzodioxol-5-yl)-2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methylamino]acetonitrile 2-(1,3-benzodioxol-5-yl)-2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methyl-amino]ethanenitrile
Wiley ID 1562703