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3-[(1-Hydroxycyclohexyl)ethynyl]-N-(4-methoxyphenyl)benzamide
SpectraBase Compound ID 3uMEMBUDE5C
InChI InChI=1S/C22H23NO3/c1-26-20-10-8-19(9-11-20)23-21(24)18-7-5-6-17(16-18)12-15-22(25)13-3-2-4-14-22/h5-11,16,25H,2-4,13-14H2,1H3,(H,23,24)
InChIKey KYRRBMSKPHXYNH-UHFFFAOYSA-N
Mol Weight 349.43 g/mol
Molecular Formula C22H23NO3
Exact Mass 349.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0tOgE1bW7c
Name 3-[(1-Hydroxycyclohexyl)ethynyl]-N-(4-methoxyphenyl)benzamide
CAS Registry Number 298685-53-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23NO3
InChI InChI=1S/C22H23NO3/c1-26-20-10-8-19(9-11-20)23-21(24)18-7-5-6-17(16-18)12-15-22(25)13-3-2-4-14-22/h5-11,16,25H,2-4,13-14H2,1H3,(H,23,24)
InChIKey KYRRBMSKPHXYNH-UHFFFAOYSA-N
Molecular Weight 349.430 g/mol
SMILES N(C(c1cc(C#CC2(O)CCCCC2)ccc1)=O)c1ccc(cc1)OC
SPLASH splash10-004i-7964000000-9bfca4c7130c065eaa93
Source of Spectrum AD-0-2532-0
Synonyms 3-[2-(1-hydroxycyclohexyl)ethynyl]-N-(4-methoxyphenyl)benzamide Benzamide, 3-(1-hydroxycyclohexylethynyl)-N-(4-methoxyphenyl)- N-(4-methoxyphenyl)-3-[2-(1-oxidanylcyclohexyl)ethynyl]benzamide
Wiley ID 1427646