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(1S,4R,5R,6R)-4-Azido-5-benzyloxy-2-bromo-6-(methoxymethoxyl)-cyclohex-2-ene-1-ol
SpectraBase Compound ID AVBaJEuosb6
InChI InChI=1S/C15H18BrN3O4/c1-21-9-23-15-13(20)11(16)7-12(18-19-17)14(15)22-8-10-5-3-2-4-6-10/h2-7,12-15,20H,8-9H2,1H3/t12-,13-,14-,15-/m1/s1
InChIKey ONILQSMLAMSIAH-KBUPBQIOSA-N
Mol Weight 384.23 g/mol
Molecular Formula C15H18BrN3O4
Exact Mass 383.048069 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0MC1bu6HLN
Name (1S,4R,5R,6R)-4-Azido-5-benzyloxy-2-bromo-6-(methoxymethoxyl)-cyclohex-2-ene-1-ol
Appearance Colourless oil
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Formula C15H18BrN3O4
InChI InChI=1S/C15H18BrN3O4/c1-21-9-23-15-13(20)11(16)7-12(18-19-17)14(15)22-8-10-5-3-2-4-6-10/h2-7,12-15,20H,8-9H2,1H3/t12-,13-,14-,15-/m1/s1
InChIKey ONILQSMLAMSIAH-KBUPBQIOSA-N
Instrument Name Shimadzu GC??MS-QP2010
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201801424
Molecular Weight 384.230 g/mol
Optical Rotation (a)D21 = ??54 (c = 0.85, AcOEt)
Reported Formula C15H18BrN3O4
SMILES O[C@@]1(C(=C[C@]([C@]([C@@]1(OCOC)[H])(OCc1ccccc1)[H])(N=[N+]=[N-])[H])Br)[H]
SPLASH splash10-0006-9000000000-9ed83efdfd9c52dd2b73
Source of Spectrum U1-2019-796-9
Wiley ID 1843705