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N-[1-(4-Acetylphenylethynyl)cyclohexyl]malonamic acid ethyl ester
SpectraBase Compound ID 8vxlcp1PmNK
InChI InChI=1S/C21H25NO4/c1-3-26-20(25)15-19(24)22-21(12-5-4-6-13-21)14-11-17-7-9-18(10-8-17)16(2)23/h7-10H,3-6,12-13,15H2,1-2H3,(H,22,24)
InChIKey VLJGZMZGCVQOSN-UHFFFAOYSA-N
Mol Weight 355.43 g/mol
Molecular Formula C21H25NO4
Exact Mass 355.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID jjoXpaXMfS
Name N-[1-(4-Acetylphenylethynyl)cyclohexyl]malonamic acid ethyl ester
Alternate Name(s) Ethyl 3-({1-[(4-acetylphenyl)ethynyl]cyclohexyl}amino)-3-oxopropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO4
InChI InChI=1S/C21H25NO4/c1-3-26-20(25)15-19(24)22-21(12-5-4-6-13-21)14-11-17-7-9-18(10-8-17)16(2)23/h7-10H,3-6,12-13,15H2,1-2H3,(H,22,24)
InChIKey VLJGZMZGCVQOSN-UHFFFAOYSA-N
Molecular Weight 355.434 g/mol
SMILES N(C(CC(=O)OCC)=O)C1(CCCCC1)C#Cc1ccc(cc1)C(=O)C
SPLASH splash10-0f6t-0906000000-6ea4c2f3ffb01cecbdc5
Source of Spectrum F4-0-2027-4
Wiley ID 1619930