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Methyl 2-(4-Chlorobenzylidene)hex-4-ynoate
SpectraBase Compound ID 3T0Ip89oADG
InChI InChI=1S/C14H13ClO2/c1-3-4-5-12(14(16)17-2)10-11-6-8-13(15)9-7-11/h6-10H,5H2,1-2H3/b12-10+
InChIKey LENFQTYWASJWGT-ZRDIBKRKSA-N
Mol Weight 248.71 g/mol
Molecular Formula C14H13ClO2
Exact Mass 248.060407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HRkr5UiWSdM
Name Methyl 2-(4-Chlorobenzylidene)hex-4-ynoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13ClO2
InChI InChI=1S/C14H13ClO2/c1-3-4-5-12(14(16)17-2)10-11-6-8-13(15)9-7-11/h6-10H,5H2,1-2H3/b12-10+
InChIKey LENFQTYWASJWGT-ZRDIBKRKSA-N
Molecular Weight 248.709 g/mol
SMILES C(\C(=C\c1ccc(cc1)Cl)CC#CC)(=O)OC
SPLASH splash10-0f6x-7940000000-bceabde36fb9007f34d8
Source of Spectrum Y1-45-6145-2
Synonyms Methyl (2E)-2-(4-chlorobenzylidene)-4-hexynoate
Wiley ID 1622132