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(9S)-11-Iodo-9-acetoxy-6'-methoxycinchonane
SpectraBase Compound ID 8AdUDIvpDiQ
InChI InChI=1S/C22H25IN2O3/c1-14(26)28-22(21-11-15-7-10-25(21)13-16(15)5-8-23)18-6-9-24-20-4-3-17(27-2)12-19(18)20/h3-6,8-9,12,15-16,21-22H,7,10-11,13H2,1-2H3/b8-5+/t15?,16?,21?,22-/m0/s1
InChIKey AZSJPUBPTMQSDA-MHUQEVJQSA-N
Mol Weight 492.36 g/mol
Molecular Formula C22H25IN2O3
Exact Mass 492.090988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8VfEHwBEjWx
Name (9S)-11-Iodo-9-acetoxy-6'-methoxycinchonane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25IN2O3
InChI InChI=1S/C22H25IN2O3/c1-14(26)28-22(21-11-15-7-10-25(21)13-16(15)5-8-23)18-6-9-24-20-4-3-17(27-2)12-19(18)20/h3-6,8-9,12,15-16,21-22H,7,10-11,13H2,1-2H3/b8-5+/t15?,16?,21?,22-/m0/s1
InChIKey AZSJPUBPTMQSDA-MHUQEVJQSA-N
Molecular Weight 492.357 g/mol
SMILES C1(N2CCC(C1)C(C2)\C=C\I)[C@](c1c2c(ccc(c2)OC)ncc1)(OC(=O)C)[H]
SPLASH splash10-0006-8941200000-0e4cd7894d1038eaf41f
Source of Spectrum H-83-790-5
Synonyms (9S,10E)-11-iodo-6'-methoxycinchonan-9-yl acetate
Wiley ID 847052