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Propanedioic acid, (6-phenyl-5-hexynyl)-, diethyl ester
SpectraBase Compound ID GiE29QZXr0w
InChI InChI=1S/C19H24O4/c1-3-22-18(20)17(19(21)23-4-2)15-11-6-5-8-12-16-13-9-7-10-14-16/h7,9-10,13-14,17H,3-6,11,15H2,1-2H3
InChIKey JRJQQMLPONRJSV-UHFFFAOYSA-N
Mol Weight 316.4 g/mol
Molecular Formula C19H24O4
Exact Mass 316.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzVO0JJUI7H
Name Propanedioic acid, (6-phenyl-5-hexynyl)-, diethyl ester
CAS Registry Number 126424-75-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24O4
InChI InChI=1S/C19H24O4/c1-3-22-18(20)17(19(21)23-4-2)15-11-6-5-8-12-16-13-9-7-10-14-16/h7,9-10,13-14,17H,3-6,11,15H2,1-2H3
InChIKey JRJQQMLPONRJSV-UHFFFAOYSA-N
Molecular Weight 316.397 g/mol
SMILES C(C(=O)OCC)(C(=O)OCC)CCCCC#Cc1ccccc1
SPLASH splash10-014i-0920000000-c185748e5cecbd430192
Source of Spectrum J-55-2649-0
Synonyms Diethyl 2-(6-phenyl-5-hexynyl)malonate Diethyl(1-phenyl-1-hexyn-6-yl)malonate
Wiley ID 1316919