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10,11-Dibromo-10,11-dihydro-6'-methoxycinchonan-9-ol
SpectraBase Compound ID eSCOhSG3Fk
InChI InChI=1S/C20H24Br2N2O2/c1-26-13-2-3-18-15(9-13)14(4-6-23-18)20(25)19-8-12-5-7-24(19)11-16(12)17(22)10-21/h2-4,6,9,12,16-17,19-20,25H,5,7-8,10-11H2,1H3/t12-,16-,17?,19+,20-/m0/s1
InChIKey TXGOPLVLSUMGEB-FEPQSFJKSA-N
Mol Weight 484.23 g/mol
Molecular Formula C20H24Br2N2O2
Exact Mass 482.020454 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lk0Nv0ekBW6
Name 10,11-Dibromo-10,11-dihydro-6'-methoxycinchonan-9-ol
Alternate Name(s) (9S,10S)-10,11-dibromo-6'-methoxy-10,11-dihydrocinchonan-9-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24Br2N2O2
InChI InChI=1S/C20H24Br2N2O2/c1-26-13-2-3-18-15(9-13)14(4-6-23-18)20(25)19-8-12-5-7-24(19)11-16(12)17(22)10-21/h2-4,6,9,12,16-17,19-20,25H,5,7-8,10-11H2,1H3/t12-,16-,17?,19+,20-/m0/s1
InChIKey TXGOPLVLSUMGEB-FEPQSFJKSA-N
Molecular Weight 484.232 g/mol
SMILES O[C@@](c1c2c(ccc(c2)OC)ncc1)([C@@]1(N2C[C@](C(Br)CBr)([C@@](CC2)(C1)[H])[H])[H])[H]
SPLASH splash10-001i-7920000000-8ffac2ea6305f4a9f6d7
Source of Spectrum H-83-784-2
Wiley ID 847076