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1-(3-[(1-Hydroxycyclohexyl)ethynyl]benzoyl)-4-piperidinecarboxamide
SpectraBase Compound ID 5OHEtasQAr2
InChI InChI=1S/C21H26N2O3/c22-19(24)17-8-13-23(14-9-17)20(25)18-6-4-5-16(15-18)7-12-21(26)10-2-1-3-11-21/h4-6,15,17,26H,1-3,8-11,13-14H2,(H2,22,24)
InChIKey ILGYWHBFEBAVHO-UHFFFAOYSA-N
Mol Weight 354.45 g/mol
Molecular Formula C21H26N2O3
Exact Mass 354.194343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JOXWMhbNOsB
Name 1-(3-[(1-Hydroxycyclohexyl)ethynyl]benzoyl)-4-piperidinecarboxamide
CAS Registry Number 296892-60-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N2O3
InChI InChI=1S/C21H26N2O3/c22-19(24)17-8-13-23(14-9-17)20(25)18-6-4-5-16(15-18)7-12-21(26)10-2-1-3-11-21/h4-6,15,17,26H,1-3,8-11,13-14H2,(H2,22,24)
InChIKey ILGYWHBFEBAVHO-UHFFFAOYSA-N
Molecular Weight 354.450 g/mol
SMILES NC(C1CCN(C(c2cc(C#CC3(O)CCCCC3)ccc2)=O)CC1)=O
SPLASH splash10-004i-9821000000-b6d9bd200bf21ab2d303
Source of Spectrum AD-0-2532-0
Synonyms 1-[3-[2-(1-Hydroxycyclohexyl)ethynyl]benzoyl]isonipecotamide 1-[3-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]piperidine-4-carboxamide 1-[3-[2-(1-oxidanylcyclohexyl)ethynyl]phenyl]carbonylpiperidine-4-carboxamide 1-[[3-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]-oxomethyl]-4-piperidinecarboxamide
Wiley ID 1427660