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2H-Pyran-3-carbonitrile, 2-(1,3-benzodioxol-5-yl)tetrahydro-6-methoxy-3-[(phenylmethyl)amino]-, (2.alpha.,3.beta.,6.beta.)-
SpectraBase Compound ID eNL0IH3rCV
InChI InChI=1S/C21H22N2O4/c1-24-19-9-10-21(13-22,23-12-15-5-3-2-4-6-15)20(27-19)16-7-8-17-18(11-16)26-14-25-17/h2-8,11,19-20,23H,9-10,12,14H2,1H3/t19-,20+,21-/m0/s1
InChIKey LUVJUQBZVORFNB-HBMCJLEFSA-N
Mol Weight 366.42 g/mol
Molecular Formula C21H22N2O4
Exact Mass 366.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DA8CGpzLa1L
Name 2H-Pyran-3-carbonitrile, 2-(1,3-benzodioxol-5-yl)tetrahydro-6-methoxy-3-[(phenylmethyl)amino]-, (2.alpha.,3.beta.,6.beta.)-
CAS Registry Number 117056-79-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O4
InChI InChI=1S/C21H22N2O4/c1-24-19-9-10-21(13-22,23-12-15-5-3-2-4-6-15)20(27-19)16-7-8-17-18(11-16)26-14-25-17/h2-8,11,19-20,23H,9-10,12,14H2,1H3/t19-,20+,21-/m0/s1
InChIKey LUVJUQBZVORFNB-HBMCJLEFSA-N
Molecular Weight 366.417 g/mol
SMILES N([C@]1([C@](O[C@@](CC1)(OC)[H])(c1cc2OCOc2cc1)[H])C#N)Cc1ccccc1
SPLASH splash10-0006-9500000000-b1068c4b4120785ea318
Source of Spectrum Y-25-1000-5
Synonyms (2R,3S,6S)-2-(1,3-benzodioxol-5-yl)-3-(benzylamino)-6-methoxytetrahydro-2H-pyran-3-carbonitrile 3-N-benzylamino-6-methoxy-2-(3,4-methylenedioxyphenyl)tetrahydro-2H-pyran-3-yl-carbonitrile
Wiley ID 1352030