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N-benzyl-N-(2-(phenylethynyl)phenyl)pentanamide
SpectraBase Compound ID 1NxzXiQGbpX
InChI InChI=1S/C26H25NO/c1-2-3-18-26(28)27(21-23-14-8-5-9-15-23)25-17-11-10-16-24(25)20-19-22-12-6-4-7-13-22/h4-17H,2-3,18,21H2,1H3
InChIKey MHRUBCNKJUDANP-UHFFFAOYSA-N
Mol Weight 367.49 g/mol
Molecular Formula C26H25NO
Exact Mass 367.193614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1pWFuVvKuHa
Name N-benzyl-N-(2-(phenylethynyl)phenyl)pentanamide
Appearance Orange oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H25NO
InChI InChI=1S/C26H25NO/c1-2-3-18-26(28)27(21-23-14-8-5-9-15-23)25-17-11-10-16-24(25)20-19-22-12-6-4-7-13-22/h4-17H,2-3,18,21H2,1H3
InChIKey MHRUBCNKJUDANP-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202201132
Molecular Weight 367.492 g/mol
Quality 282
Reported Formula C26H25NO
SMILES C1(=CC=CC=C1)CN(C(CCCC)=O)C1=C(C=CC=C1)C#CC1=CC=CC=C1
SPLASH splash10-053r-0092000000-5d8cfec29f536a2fd874
Source of Spectrum K1-26-SM80-15aa (DOI: 10.1002/ejoc.202201132)
Thin-Layer Chromatography 0.19 (cHex/EtOAc, 10:1)
Wiley ID 1910474