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3-(4-t-Butylphenyl)-8-iodohexahydroindoline
SpectraBase Compound ID Kxue6Ta2Mxi
InChI InChI=1S/C18H26IN/c1-18(2,3)13-9-7-12(8-10-13)15-11-20-17-14(15)5-4-6-16(17)19/h7-10,14-17,20H,4-6,11H2,1-3H3/t14-,15?,16+,17+/m1/s1
InChIKey DBBUPOLUGXIZCO-XOJKTNQZSA-N
Mol Weight 383.32 g/mol
Molecular Formula C18H26IN
Exact Mass 383.110995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GHLDvUhIo6F
Name 3-(4-t-Butylphenyl)-8-iodohexahydroindoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26IN
InChI InChI=1S/C18H26IN/c1-18(2,3)13-9-7-12(8-10-13)15-11-20-17-14(15)5-4-6-16(17)19/h7-10,14-17,20H,4-6,11H2,1-3H3/t14-,15?,16+,17+/m1/s1
InChIKey DBBUPOLUGXIZCO-XOJKTNQZSA-N
Molecular Weight 383.317 g/mol
SMILES N1CC([C@@]2([C@]1([C@](CCC2)(I)[H])[H])[H])c1ccc(C(C)(C)C)cc1
SPLASH splash10-000t-0390000000-6036afbc11e4931ad101
Source of Spectrum PS-50-1293-35
Synonyms (3aR,7S,7aS)-3-(4-tert-Butyl-phenyl)-7-iodo-octahydro-indole
Wiley ID 1361015