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Diethyl 2-Bromo-8-hydroxy-8-(p-methoxyphenyl)oct-1-ene-6-yne-4,4-dicarboxylate
SpectraBase Compound ID LuZInLAJgeF
InChI InChI=1S/C21H25BrO6/c1-5-27-19(24)21(14-15(3)22,20(25)28-6-2)13-7-8-18(23)16-9-11-17(26-4)12-10-16/h9-12,18,23H,3,5-6,13-14H2,1-2,4H3
InChIKey GYQIGZYVWIVESJ-UHFFFAOYSA-N
Mol Weight 453.33 g/mol
Molecular Formula C21H25BrO6
Exact Mass 452.083452 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJdLqvdumER
Name Diethyl 2-Bromo-8-hydroxy-8-(p-methoxyphenyl)oct-1-ene-6-yne-4,4-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25BrO6
InChI InChI=1S/C21H25BrO6/c1-5-27-19(24)21(14-15(3)22,20(25)28-6-2)13-7-8-18(23)16-9-11-17(26-4)12-10-16/h9-12,18,23H,3,5-6,13-14H2,1-2,4H3
InChIKey GYQIGZYVWIVESJ-UHFFFAOYSA-N
Molecular Weight 453.329 g/mol
SMILES OC(c1ccc(cc1)OC)C#CCC(C(=O)OCC)(C(=O)OCC)CC(=C)Br
SPLASH splash10-000i-4952000000-2f0b8d48e092921f2925
Source of Spectrum F-52-11559-15
Synonyms Diethyl 2-(2-bromo-2-propenyl)-2-[4-hydroxy-4-(4-methoxyphenyl)-2-butynyl]malonate
Wiley ID 798522