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1-Cyclopentene-1-carbonitrile, 2-[[1-(hydroxyphenylmethyl)-3-methylbutyl]amino]-, [S-(R*,R*)]-
SpectraBase Compound ID CcT8YYdgYqc
InChI InChI=1S/C18H24N2O/c1-13(2)11-17(18(21)14-7-4-3-5-8-14)20-16-10-6-9-15(16)12-19/h3-5,7-8,13,17-18,20-21H,6,9-11H2,1-2H3/t17-,18-/m0/s1
InChIKey MHYWKNJNVDBYAI-ROUUACIJSA-N
Mol Weight 284.4 g/mol
Molecular Formula C18H24N2O
Exact Mass 284.188863 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BayulcoILtc
Name 1-Cyclopentene-1-carbonitrile, 2-[[1-(hydroxyphenylmethyl)-3-methylbutyl]amino]-, [S-(R*,R*)]-
CAS Registry Number 113496-09-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24N2O
InChI InChI=1S/C18H24N2O/c1-13(2)11-17(18(21)14-7-4-3-5-8-14)20-16-10-6-9-15(16)12-19/h3-5,7-8,13,17-18,20-21H,6,9-11H2,1-2H3/t17-,18-/m0/s1
InChIKey MHYWKNJNVDBYAI-ROUUACIJSA-N
Molecular Weight 284.403 g/mol
SMILES N(C1=C(C#N)CCC1)[C@]([C@](c1ccccc1)(O)[H])(CC(C)C)[H]
SPLASH splash10-004i-1900000000-6331ee8022f1d4ebbade
Source of Spectrum H-70-1284-0
Synonyms 2-({(1S)-1-[(S)-hydroxy(phenyl)methyl]-3-methylbutyl}amino)-1-cyclopentene-1-carbonitrile {1-[(.alpha.-hydroxybenzyl)-3-methylbutyl]amino}-2-cyclopentene-1-carbonitrile
Wiley ID 1288295