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NALOXONE-AZINE
SpectraBase Compound ID D0QuVrvWBKM
InChI InChI=1S/C38H42N4O6/c1-3-15-41-17-13-35-29-21-5-7-25(43)31(29)47-33(35)23(9-11-37(35,45)27(41)19-21)39-40-24-10-12-38(46)28-20-22-6-8-26(44)32-30(22)36(38,34(24)48-32)14-18-42(28)16-4-2/h3-8,27-28,33-34,43-46H,1-2,9-20H2/b39-23+,40-24+/t27-,28-,33?,34?,35+,36+,37-,38?/m0/s1
InChIKey AJPSBXJNFJCCBI-NZASLNAFSA-N
Mol Weight 650.8 g/mol
Molecular Formula C38H42N4O6
Exact Mass 650.310435 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 98L8gBo9Eoa
Name NALOXONE-AZINE
CAS Registry Number 91796-64-4
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H42N4O6
InChI InChI=1S/C38H42N4O6/c1-3-15-41-17-13-35-29-21-5-7-25(43)31(29)47-33(35)23(9-11-37(35,45)27(41)19-21)39-40-24-10-12-38(46)28-20-22-6-8-26(44)32-30(22)36(38,34(24)48-32)14-18-42(28)16-4-2/h3-8,27-28,33-34,43-46H,1-2,9-20H2/b39-23+,40-24+/t27-,28-,33?,34?,35+,36+,37-,38?/m0/s1
InChIKey AJPSBXJNFJCCBI-NZASLNAFSA-N
Literature Reference Author V.M.KOLB,D.H.HUA
Literature Reference Citation J.ORG.CHEM.,49,3824(1984)
Literature Reference DOI 10.1021/jo00194a029
Molecular Weight 650.775 g/mol
Solvent CDCl3
Source File Reference UWCS12481