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4-[1-(2-Ethoxycarbonylqcetylamino)cyclohexylethynyl]benzoic acid methyl ester
SpectraBase Compound ID JzdQvnBAwR7
InChI InChI=1S/C21H25NO5/c1-3-27-19(24)15-18(23)22-21(12-5-4-6-13-21)14-11-16-7-9-17(10-8-16)20(25)26-2/h7-10H,3-6,12-13,15H2,1-2H3,(H,22,23)
InChIKey FEQPDDPTAVCBRX-UHFFFAOYSA-N
Mol Weight 371.43 g/mol
Molecular Formula C21H25NO5
Exact Mass 371.173273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5aPCtUg7kW1
Name 4-[1-(2-Ethoxycarbonylqcetylamino)cyclohexylethynyl]benzoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO5
InChI InChI=1S/C21H25NO5/c1-3-27-19(24)15-18(23)22-21(12-5-4-6-13-21)14-11-16-7-9-17(10-8-16)20(25)26-2/h7-10H,3-6,12-13,15H2,1-2H3,(H,22,23)
InChIKey FEQPDDPTAVCBRX-UHFFFAOYSA-N
Molecular Weight 371.433 g/mol
SMILES N(C(CC(=O)OCC)=O)C1(C#Cc2ccc(C(=O)OC)cc2)CCCCC1
SPLASH splash10-03xr-0089000000-7a3b0d951ef865f06d9c
Source of Spectrum F4-0-2028-4
Wiley ID 1619929