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2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methyl-amino]-2-(2-thienyl)acetonitrile

View entire compound with spectra: 1 MS (GC)

2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methyl-amino]-2-(2-thienyl)acetonitrile
SpectraBase Compound ID GxvQYgVAMiL
InChI InChI=1S/C19H22N2O2S/c1-19(2)22-13-16(18(23-19)14-8-5-4-6-9-14)21(3)15(12-20)17-10-7-11-24-17/h4-11,15-16,18H,13H2,1-3H3/t15?,16-,18-/m0/s1
InChIKey ZEXUTFJDVRCQHV-YLGOGADGSA-N
Mol Weight 342.46 g/mol
Molecular Formula C19H22N2O2S
Exact Mass 342.140199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1FacUpEptMm
Name 2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methyl-amino]-2-(2-thienyl)acetonitrile
Alternate Name(s) 2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methyl-amino]-2-thiophen-2-yl-ethanenitrile 2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methylamino]-2-thiophen-2-ylacetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22N2O2S
InChI InChI=1S/C19H22N2O2S/c1-19(2)22-13-16(18(23-19)14-8-5-4-6-9-14)21(3)15(12-20)17-10-7-11-24-17/h4-11,15-16,18H,13H2,1-3H3/t15?,16-,18-/m0/s1
InChIKey ZEXUTFJDVRCQHV-YLGOGADGSA-N
Molecular Weight 342.457 g/mol
SMILES [C@]1(N(C(c2sccc2)C#N)C)([C@@](OC(OC1)(C)C)(c1ccccc1)[H])[H]
SPLASH splash10-004i-1901000000-c73f1d21df8b4da43ec6
Source of Spectrum SO-0-665-3
Wiley ID 873053