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4-(4-Phenoxybut-2-ynoyl)benzonitrile
SpectraBase Compound ID 8rhFvlHG40c
InChI InChI=1S/C17H11NO2/c18-13-14-8-10-15(11-9-14)17(19)7-4-12-20-16-5-2-1-3-6-16/h1-3,5-6,8-11H,12H2
InChIKey RRMBMHBZFODBAM-UHFFFAOYSA-N
Mol Weight 261.28 g/mol
Molecular Formula C17H11NO2
Exact Mass 261.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3JwzzjF9ocH
Name 4-(4-Phenoxybut-2-ynoyl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H11NO2
InChI InChI=1S/C17H11NO2/c18-13-14-8-10-15(11-9-14)17(19)7-4-12-20-16-5-2-1-3-6-16/h1-3,5-6,8-11H,12H2
InChIKey RRMBMHBZFODBAM-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C5OB00502G
Molecular Weight 261.280 g/mol
SMILES C(c1ccc(cc1)C(C#CCOc1ccccc1)=O)#N
SPLASH splash10-0gx0-4950000000-8df5e67cdb5da8b840ea
Source of Spectrum F5-13-5090/SM5-3dp
Wiley ID 1806863