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Diethyl 2-Bromo-8-hydroxy-8-phenyloct-1-ene-6-yne-4,4-dicarboxylate
SpectraBase Compound ID HOXlZmLEWCc
InChI InChI=1S/C20H23BrO5/c1-4-25-18(23)20(14-15(3)21,19(24)26-5-2)13-9-12-17(22)16-10-7-6-8-11-16/h6-8,10-11,17,22H,3-5,13-14H2,1-2H3
InChIKey HTVMNFKXWGATIN-UHFFFAOYSA-N
Mol Weight 423.3 g/mol
Molecular Formula C20H23BrO5
Exact Mass 422.072887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JoF74cjG4Lr
Name Diethyl 2-Bromo-8-hydroxy-8-phenyloct-1-ene-6-yne-4,4-dicarboxylate
Alternate Name(s) Diethyl 2-(2-bromo-2-propenyl)-2-(4-hydroxy-4-phenyl-2-butynyl)malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23BrO5
InChI InChI=1S/C20H23BrO5/c1-4-25-18(23)20(14-15(3)21,19(24)26-5-2)13-9-12-17(22)16-10-7-6-8-11-16/h6-8,10-11,17,22H,3-5,13-14H2,1-2H3
InChIKey HTVMNFKXWGATIN-UHFFFAOYSA-N
Molecular Weight 423.303 g/mol
SMILES OC(C#CCC(C(=O)OCC)(C(=O)OCC)CC(=C)Br)c1ccccc1
SPLASH splash10-06fs-1981000000-26600c9ec1e838b2290d
Source of Spectrum F-52-11559-15
Wiley ID 798523