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(9R)-10,11-Didehydro-11-bromo-6'-methoxycinchonan-9-ol
SpectraBase Compound ID 2Z8J81bTgca
InChI InChI=1S/C20H21BrN2O2/c1-25-15-2-3-18-17(11-15)16(5-8-22-18)20(24)19-10-13-6-9-23(19)12-14(13)4-7-21/h2-3,5,8,11,13-14,19-20,24H,6,9-10,12H2,1H3/t13-,14-,19+,20+/m1/s1
InChIKey JYIFXBJYIMGKFW-NSMLZSOPSA-N
Mol Weight 401.3 g/mol
Molecular Formula C20H21BrN2O2
Exact Mass 400.078641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 33tGv9ONIO
Name (9R)-10,11-Didehydro-11-bromo-6'-methoxycinchonan-9-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21BrN2O2
InChI InChI=1S/C20H21BrN2O2/c1-25-15-2-3-18-17(11-15)16(5-8-22-18)20(24)19-10-13-6-9-23(19)12-14(13)4-7-21/h2-3,5,8,11,13-14,19-20,24H,6,9-10,12H2,1H3/t13-,14-,19+,20+/m1/s1
InChIKey JYIFXBJYIMGKFW-NSMLZSOPSA-N
Molecular Weight 401.304 g/mol
SMILES O[C@@](c1c2c(ccc(c2)OC)ncc1)([C@]1(N2C[C@@](C#CBr)([C@](CC2)(C1)[H])[H])[H])[H]
SPLASH splash10-03di-1894000000-6813217dc59c394ef9bb
Source of Spectrum H-83-789-6
Wiley ID 847058