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N-(2-Methylbenzyl)-2.beta.-carbomethoxy-3.beta.-(4'-iodophenyl)nortropane
SpectraBase Compound ID AI5vRE1yIHm
InChI InChI=1S/C23H26INO2/c1-15-5-3-4-6-17(15)14-25-19-11-12-21(25)22(23(26)27-2)20(13-19)16-7-9-18(24)10-8-16/h3-10,19-22H,11-14H2,1-2H3/t19-,20-,21+,22-/m1/s1
InChIKey OZEKSHNBMDIPKA-YUMYIRISSA-N
Mol Weight 475.37 g/mol
Molecular Formula C23H26INO2
Exact Mass 475.100824 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2A2SgDEhc0
Name N-(2-Methylbenzyl)-2.beta.-carbomethoxy-3.beta.-(4'-iodophenyl)nortropane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26INO2
InChI InChI=1S/C23H26INO2/c1-15-5-3-4-6-17(15)14-25-19-11-12-21(25)22(23(26)27-2)20(13-19)16-7-9-18(24)10-8-16/h3-10,19-22H,11-14H2,1-2H3/t19-,20-,21+,22-/m1/s1
InChIKey OZEKSHNBMDIPKA-YUMYIRISSA-N
Molecular Weight 475.370 g/mol
SMILES [C@@]12(N([C@@](C[C@@]([C@]2(C(=O)OC)[H])(c2ccc(cc2)I)[H])(CC1)[H])Cc1c(C)cccc1)[H]
SPLASH splash10-05fr-1900000000-79f495e4af89680dc3c7
Source of Spectrum E1-40-1370-8
Wiley ID 1599225