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(1S,2S,5R,6R)-5-Azido-6-benzyloxy-3-bromo-2-(methoxymethoxyl)-cyclohex-3-ene-1-ol
SpectraBase Compound ID 6PGvJ9vWeDN
InChI InChI=1S/C15H18BrN3O4/c1-21-9-23-14-11(16)7-12(18-19-17)15(13(14)20)22-8-10-5-3-2-4-6-10/h2-7,12-15,20H,8-9H2,1H3/t12-,13-,14-,15-/m1/s1
InChIKey SQDPDLISNUODOU-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 Ags9aWYNjcH
Name (1S,2S,5R,6R)-5-Azido-6-benzyloxy-3-bromo-2-(methoxymethoxyl)-cyclohex-3-ene-1-ol
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18BrN3O4
InChI InChI=1S/C15H18BrN3O4/c1-21-9-23-14-11(16)7-12(18-19-17)15(13(14)20)22-8-10-5-3-2-4-6-10/h2-7,12-15,20H,8-9H2,1H3/t12-,13-,14-,15-/m1/s1
InChIKey SQDPDLISNUODOU-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 = ??98 (c = 1.35, AcOEt)
SMILES O[C@@]1([C@@](C(=C[C@]([C@]1(OCc1ccccc1)[H])(N=[N+]=[N-])[H])Br)(OCOC)[H])[H]
SPLASH splash10-0007-9000000000-e064fc4c6be8487810f1
Source of Spectrum U1-2019-796-8
Wiley ID 1843704