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1-Cyclopentene-1-carbonitrile, 2-[[1-(hydroxyphenylmethyl)-2-methylpropyl]amino]-, [R-(R*,S*)]-
SpectraBase Compound ID 2UO9nZbvdXe
InChI InChI=1S/C17H22N2O/c1-12(2)16(17(20)13-7-4-3-5-8-13)19-15-10-6-9-14(15)11-18/h3-5,7-8,12,16-17,19-20H,6,9-10H2,1-2H3/t16-,17+/m0/s1
InChIKey RMELYQVPKXGXNI-DLBZAZTESA-N
Mol Weight 270.38 g/mol
Molecular Formula C17H22N2O
Exact Mass 270.173213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GkjngKXYd5b
Name 1-Cyclopentene-1-carbonitrile, 2-[[1-(hydroxyphenylmethyl)-2-methylpropyl]amino]-, [R-(R*,S*)]-
Alternate Name(s) 2-({(1S)-1-[(R)-hydroxy(phenyl)methyl]-2-methylpropyl}amino)-1-cyclopentene-1-carbonitrile {[(.alpha.-hydroxybenzyl)-1-methyl-2-propyl]amino}-2-cyclopentene-1-carbonitrile
CAS Registry Number 113496-02-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N2O
InChI InChI=1S/C17H22N2O/c1-12(2)16(17(20)13-7-4-3-5-8-13)19-15-10-6-9-14(15)11-18/h3-5,7-8,12,16-17,19-20H,6,9-10H2,1-2H3/t16-,17+/m0/s1
InChIKey RMELYQVPKXGXNI-DLBZAZTESA-N
Molecular Weight 270.376 g/mol
SMILES N(C1=C(C#N)CCC1)[C@]([C@@](c1ccccc1)(O)[H])(C(C)C)[H]
SPLASH splash10-03di-0900000000-9b43fd4e3bbd728028a3
Source of Spectrum H-70-1283-0
Wiley ID 1274647