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2-[(E)-1-phenylhex-1-en-4-yn-3-yl]propanedioic acid dimethyl ester
SpectraBase Compound ID 8xCmuYDppjo
InChI InChI=1S/C17H18O4/c1-4-8-14(12-11-13-9-6-5-7-10-13)15(16(18)20-2)17(19)21-3/h5-7,9-12,14-15H,1-3H3/b12-11+
InChIKey FMXGIQINJXLJIO-VAWYXSNFSA-N
Mol Weight 286.33 g/mol
Molecular Formula C17H18O4
Exact Mass 286.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DbSEzCP4UJk
Name 2-[(E)-1-phenylhex-1-en-4-yn-3-yl]propanedioic acid dimethyl ester
Alternate Name(s) 2-[1-[(E)-styryl]but-2-ynyl]malonic acid dimethyl ester Dimethyl 2-[(E)-1-phenylhex-1-en-4-yn-3-yl]propanedioate Dimethyl 2-[1-[(E)-styryl]but-2-ynyl]propanedioate
CAS Registry Number 103240-73-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O4
InChI InChI=1S/C17H18O4/c1-4-8-14(12-11-13-9-6-5-7-10-13)15(16(18)20-2)17(19)21-3/h5-7,9-12,14-15H,1-3H3/b12-11+
InChIKey FMXGIQINJXLJIO-VAWYXSNFSA-N
Molecular Weight 286.327 g/mol
SMILES C(C(=O)OC)(C(=O)OC)C(C#CC)\C=C\c1ccccc1
SPLASH splash10-0pxr-4920000000-34ef8fc7ab648be96679
Source of Spectrum J-51-4014-28
Wiley ID 1290007