(2S,6R,1'R)-N-(2-Hydroxy-1-phenylethyl)-2-methyl-6-[(E)-undec-3-en-1-ynyl]piperidine

SpectraBase Compound ID	4CEnLQCqNQy
InChI	InChI=1S/C25H37NO/c1-3-4-5-6-7-8-9-10-14-19-24-20-15-16-22(2)26(24)25(21-27)23-17-12-11-13-18-23/h9-13,17-18,22,24-25,27H,3-8,15-16,20-21H2,1-2H3/b10-9+/t22-,24-,25-/m0/s1
InChIKey	YFYYLVDBUSGTTB-SWQAPZLMSA-N Google Search
Mol Weight	367.6 g/mol
Molecular Formula	C25H37NO
Exact Mass	367.287515 g/mol

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SpectraBase Spectrum ID	3febmkCnKd4
Name	(2S,6R,1'R)-N-(2-Hydroxy-1-phenylethyl)-2-methyl-6-[(E)-undec-3-en-1-ynyl]piperidine
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	367.287514814 u
Formula	C25H37NO
InChI	InChI=1S/C25H37NO/c1-3-4-5-6-7-8-9-10-14-19-24-20-15-16-22(2)26(24)25(21-27)23-17-12-11-13-18-23/h9-13,17-18,22,24-25,27H,3-8,15-16,20-21H2,1-2H3/b10-9+/t22-,24-,25-/m0/s1
InChIKey	YFYYLVDBUSGTTB-SWQAPZLMSA-N
Molecular Weight	367.577 g/mol
SMILES	[C@](N1[C@@](C#C\C=C\CCCCCCC)(CCC[C@@]1(C)[H])[H])(C1=CC=CC=C1)(CO)[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.913911