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N-(3-Iodoprop-2(E)-enyl)-2.beta.-carbomethoxy-3.beta.-(phenyl)nortropane
SpectraBase Compound ID Jb1TpGVJHOK
InChI InChI=1S/C18H22INO2/c1-22-18(21)17-15(13-6-3-2-4-7-13)12-14-8-9-16(17)20(14)11-5-10-19/h2-7,10,14-17H,8-9,11-12H2,1H3/b10-5+/t14-,15+,16+,17-/m0/s1
InChIKey CZPZQMXAJDWBFP-KZTBUPNPSA-N
Mol Weight 411.28 g/mol
Molecular Formula C18H22INO2
Exact Mass 411.069524 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I5LnyBaI39c
Name N-(3-Iodoprop-2(E)-enyl)-2.beta.-carbomethoxy-3.beta.-(phenyl)nortropane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22INO2
InChI InChI=1S/C18H22INO2/c1-22-18(21)17-15(13-6-3-2-4-7-13)12-14-8-9-16(17)20(14)11-5-10-19/h2-7,10,14-17H,8-9,11-12H2,1H3/b10-5+/t14-,15+,16+,17-/m0/s1
InChIKey CZPZQMXAJDWBFP-KZTBUPNPSA-N
Molecular Weight 411.283 g/mol
SMILES [C@@]1([C@@]2(N(C\C=C\I)[C@](C[C@@]1(c1ccccc1)[H])(CC2)[H])[H])(C(=O)OC)[H]
SPLASH splash10-0g5i-0970100000-dd074e6a0fd8600aac48
Source of Spectrum E1-40-1371-3
Wiley ID 1599224