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(2-S,3-R,5-R)-3-AZIDO-2-BENZYLOXY-5-HYDROXY-1-(METHOXYCARBONYLMETHYLENE)-CYCLOHEXANE
SpectraBase Compound ID KVuw3ZJgCr9
InChI InChI=1S/C16H19N3O4/c1-22-15(21)8-12-7-13(20)9-14(18-19-17)16(12)23-10-11-5-3-2-4-6-11/h2-6,8,13-14,16,20H,7,9-10H2,1H3/b12-8+/t13-,14+,16+/m0/s1
InChIKey MFRCLHKBEIWYNP-PSHIAKAUSA-N
Mol Weight 317.35 g/mol
Molecular Formula C16H19N3O4
Exact Mass 317.137556 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5eJVxIX87Qc
Name (2-S,3-R,5-R)-3-AZIDO-2-BENZYLOXY-5-HYDROXY-1-(METHOXYCARBONYLMETHYLENE)-CYCLOHEXANE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H19N3O4
InChI InChI=1S/C16H19N3O4/c1-22-15(21)8-12-7-13(20)9-14(18-19-17)16(12)23-10-11-5-3-2-4-6-11/h2-6,8,13-14,16,20H,7,9-10H2,1H3/b12-8+/t13-,14+,16+/m0/s1
InChIKey MFRCLHKBEIWYNP-PSHIAKAUSA-N
Literature Reference Author I.F.PELYVAS,Z.G.TOTH,G.VEREB,A.BALLA,E.KOVACS,A.GORZSAS,F.SZ TARICSKAI,P.GERGELY
Literature Reference Citation J.MED.CHEM.,44,627(2001)
Literature Reference DOI 10.1021/jm001081c
Molecular Weight 317.345 g/mol
Sample ID 43852
Solvent ACETONE-D6