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4-Phenylbut-3-yn-2-yl benzoate
SpectraBase Compound ID B9BZOPqi0zv
InChI InChI=1S/C17H14O2/c1-14(12-13-15-8-4-2-5-9-15)19-17(18)16-10-6-3-7-11-16/h2-11,14H,1H3
InChIKey WNZJGJNPNJHDDU-UHFFFAOYSA-N
Mol Weight 250.3 g/mol
Molecular Formula C17H14O2
Exact Mass 250.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Fp15uphYG
Name 4-Phenylbut-3-yn-2-yl benzoate
Alternate Name(s) benzoic acid 4-phenylbut-3-yn-2-yl ester (1-methyl-3-phenyl-prop-2-ynyl) benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14O2
InChI InChI=1S/C17H14O2/c1-14(12-13-15-8-4-2-5-9-15)19-17(18)16-10-6-3-7-11-16/h2-11,14H,1H3
InChIKey WNZJGJNPNJHDDU-UHFFFAOYSA-N
Molecular Weight 250.297 g/mol
SMILES C(c1ccccc1)(=O)OC(C)C#Cc1ccccc1
SPLASH splash10-056r-2910000000-04d9852126dfa4d07170
Source of Spectrum KC-1992-3343-0
Wiley ID 777565