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2H-Pyran-3-methanamine, 3-amino-2-(1,3-benzodioxol-5-yl)tetrahydro-6-methoxy-, (2.alpha.,3.beta.,6.beta.)-
SpectraBase Compound ID E6EwuNn5wtM
InChI InChI=1S/C14H20N2O4/c1-17-12-4-5-14(16,7-15)13(20-12)9-2-3-10-11(6-9)19-8-18-10/h2-3,6,12-13H,4-5,7-8,15-16H2,1H3/t12-,13+,14-/m0/s1
InChIKey XNHSVDYJYSKJHV-MJBXVCDLSA-N
Mol Weight 280.32 g/mol
Molecular Formula C14H20N2O4
Exact Mass 280.142307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fg6ETg1qOCP
Name 2H-Pyran-3-methanamine, 3-amino-2-(1,3-benzodioxol-5-yl)tetrahydro-6-methoxy-, (2.alpha.,3.beta.,6.beta.)-
CAS Registry Number 117056-91-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20N2O4
InChI InChI=1S/C14H20N2O4/c1-17-12-4-5-14(16,7-15)13(20-12)9-2-3-10-11(6-9)19-8-18-10/h2-3,6,12-13H,4-5,7-8,15-16H2,1H3/t12-,13+,14-/m0/s1
InChIKey XNHSVDYJYSKJHV-MJBXVCDLSA-N
Molecular Weight 280.324 g/mol
SMILES N[C@@]1(CN)[C@](O[C@@](CC1)(OC)[H])(c1cc2OCOc2cc1)[H]
SPLASH splash10-007k-9210000000-a53c7febc3799582e9a2
Source of Spectrum Y-25-1000-6
Synonyms (2R,3S,6S)-3-(aminomethyl)-2-(1,3-benzodioxol-5-yl)-6-methoxytetrahydro-2H-pyran-3-amine [(2R,3S,6S)-3-amino-2-(1,3-benzodioxol-5-yl)-6-methoxytetrahydro-2H-pyran-3-yl]methylamine [3-amino-6-methoxy-2-(3,4-methylenedioxyphenyl)tetrahydro-2H-pyran-3-yl]methylamine
Wiley ID 1283653