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N-(Benzyl)-2.beta.-carbomethoxy-3.beta.-(4'-iodophenyl)nortropane
SpectraBase Compound ID 7keuVVPE76m
InChI InChI=1S/C22H24INO2/c1-26-22(25)21-19(16-7-9-17(23)10-8-16)13-18-11-12-20(21)24(18)14-15-5-3-2-4-6-15/h2-10,18-21H,11-14H2,1H3/t18-,19-,20+,21-/m1/s1
InChIKey SPTMOFIPJMIUBM-MXEMCNAFSA-N
Mol Weight 461.34 g/mol
Molecular Formula C22H24INO2
Exact Mass 461.085174 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID dIY4kgkVs
Name N-(Benzyl)-2.beta.-carbomethoxy-3.beta.-(4'-iodophenyl)nortropane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24INO2
InChI InChI=1S/C22H24INO2/c1-26-22(25)21-19(16-7-9-17(23)10-8-16)13-18-11-12-20(21)24(18)14-15-5-3-2-4-6-15/h2-10,18-21H,11-14H2,1H3/t18-,19-,20+,21-/m1/s1
InChIKey SPTMOFIPJMIUBM-MXEMCNAFSA-N
Molecular Weight 461.343 g/mol
SMILES [C@@]12(N([C@@](C[C@@]([C@]2(C(=O)OC)[H])(c2ccc(cc2)I)[H])(CC1)[H])Cc1ccccc1)[H]
SPLASH splash10-0a4l-5900100000-65ad88d526103fa6f303
Source of Spectrum E1-40-1370-7
Wiley ID 1599226