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11-Iodo-9-acetoxy10,11-dihydro-6'-methoxycinchonane
SpectraBase Compound ID 9Stb4irSPv4
InChI InChI=1S/C22H27IN2O3/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/h3-4,6,9,12,15-16,21-22H,5,7-8,10-11,13H2,1-2H3/t15-,16-,21+,22?/m0/s1
InChIKey OIYSRTYHERABLB-VDJKQJETSA-N
Mol Weight 494.37 g/mol
Molecular Formula C22H27IN2O3
Exact Mass 494.106638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DI9Nc4GXmBV
Name 11-Iodo-9-acetoxy10,11-dihydro-6'-methoxycinchonane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27IN2O3
InChI InChI=1S/C22H27IN2O3/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/h3-4,6,9,12,15-16,21-22H,5,7-8,10-11,13H2,1-2H3/t15-,16-,21+,22?/m0/s1
InChIKey OIYSRTYHERABLB-VDJKQJETSA-N
Molecular Weight 494.373 g/mol
SMILES [C@@]1(N2CC[C@@](C1)([C@](C2)(CCI)[H])[H])(C(c1c2c(ccc(c2)OC)ncc1)OC(=O)C)[H]
SPLASH splash10-00kr-4924000000-74fa434b2512467656e9
Source of Spectrum H-83-790-5
Synonyms 11-iodo-6'-methoxy-10,11-dihydrocinchonan-9-yl acetate
Wiley ID 847051