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Diethyl 2-bromo-8-methoxy-12-methyltridec-1,11-diene-6-yne-4,4-dicarboxylate
SpectraBase Compound ID Jx5K8BuoH49
InChI InChI=1S/C21H31BrO5/c1-7-26-19(23)21(15-17(5)22,20(24)27-8-2)14-10-13-18(25-6)12-9-11-16(3)4/h11,18H,5,7-9,12,14-15H2,1-4,6H3
InChIKey ZNGDSMAYKWGMGK-UHFFFAOYSA-N
Mol Weight 443.38 g/mol
Molecular Formula C21H31BrO5
Exact Mass 442.135487 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6i6qSIA5cjq
Name Diethyl 2-bromo-8-methoxy-12-methyltridec-1,11-diene-6-yne-4,4-dicarboxylate
Alternate Name(s) Diethyl 2-(2-bromo-2-propenyl)-2-(4-methoxy-8-methyl-7-nonen-2-ynyl)malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31BrO5
InChI InChI=1S/C21H31BrO5/c1-7-26-19(23)21(15-17(5)22,20(24)27-8-2)14-10-13-18(25-6)12-9-11-16(3)4/h11,18H,5,7-9,12,14-15H2,1-4,6H3
InChIKey ZNGDSMAYKWGMGK-UHFFFAOYSA-N
Molecular Weight 443.378 g/mol
SMILES C(C(=O)OCC)(C(=O)OCC)(CC(=C)Br)CC#CC(OC)CCC=C(C)C
SPLASH splash10-0a6r-5494000000-1774c7ad8e706c22c147
Source of Spectrum F-52-11571-46
Wiley ID 798490