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(4S,5R)-4-(4-Bromobenzyl)-2,2-dimethyl-1,3-dioxan-5-amine
SpectraBase Compound ID 24DWZZJ2Hrp
InChI InChI=1S/C13H18BrNO2/c1-13(2)16-8-11(15)12(17-13)7-9-3-5-10(14)6-4-9/h3-6,11-12H,7-8,15H2,1-2H3/t11-,12+/m1/s1
InChIKey LCDJSDSIJHKSEG-NEPJUHHUSA-N
Mol Weight 300.2 g/mol
Molecular Formula C13H18BrNO2
Exact Mass 299.052092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Pi16GMbHUO
Name (4S,5R)-4-(4-Bromobenzyl)-2,2-dimethyl-1,3-dioxan-5-amine
Alternate Name(s) (4S,5R)-4-(4-bromobenzyl)-2,2-dimethyl-1,3-dioxan-5-ylamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18BrNO2
InChI InChI=1S/C13H18BrNO2/c1-13(2)16-8-11(15)12(17-13)7-9-3-5-10(14)6-4-9/h3-6,11-12H,7-8,15H2,1-2H3/t11-,12+/m1/s1
InChIKey LCDJSDSIJHKSEG-NEPJUHHUSA-N
Molecular Weight 300.196 g/mol
SMILES N[C@]1([C@@](OC(OC1)(C)C)(Cc1ccc(cc1)Br)[H])[H]
SPLASH splash10-0fz9-9840000000-7b68679c81aac8ca8bcd
Source of Spectrum K1-2004-1738-5
Wiley ID 1560666