2-Pyridinecarbonitrile, 3-ethyl-1,4,5,6-tetrahydro-4-(hydroxyphenylmethyl)-1-methyl-, (R*,R*)- - Optional[Vapor Phase IR] - Spectrum

SpectraBase Compound ID	GKAsSCZ0mpn
InChI	InChI=1S/C16H20N2O/c1-3-13-14(9-10-18(2)15(13)11-17)16(19)12-7-5-4-6-8-12/h4-8,14,16,19H,3,9-10H2,1-2H3
InChIKey	MLIRXJNHTABBMK-UHFFFAOYSA-N Google Search
Mol Weight	256.35 g/mol
Molecular Formula	C16H20N2O
Exact Mass	256.157563 g/mol

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SpectraBase Spectrum ID	Bjya2YHs1D6
Name	1-Methyl-2-cyano-3-ethyl-4-(.alpha.-hydroxy-benzyl)-2-piperideine
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	256.157563271 u
Formula	C16H20N2O
InChI	InChI=1S/C16H20N2O/c1-3-13-14(9-10-18(2)15(13)11-17)16(19)12-7-5-4-6-8-12/h4-8,14,16,19H,3,9-10H2,1-2H3
InChIKey	MLIRXJNHTABBMK-UHFFFAOYSA-N
Molecular Weight	256.349 g/mol
SMILES	OC(C1C(=C(C#N)N(CC1)C)CC)c1ccccc1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.873127