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 Google Search
Mol Weight	270.38 g/mol
Molecular Formula	C17H22N2O
Exact Mass	270.173213 g/mol

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SpectraBase Spectrum ID	2bFB7PUL9vj
Name	1-Cyclopentene-1-carbonitrile, 2-[[1-(hydroxyphenylmethyl)-2-methylpropyl]amino]-, [R-(R,S)]-
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	270.173213335 u
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
SMILES	C1(N[C@]([C@@](C2=CC=CC=C2)(O)[H])(C(C)C)[H])=C(C#N)CCC1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.83696