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Diethyl 2-bromo-9,9-dimethyl-8-methoxydodeca-1,11-dien-6-yne-4,4-dicarboxylate
SpectraBase Compound ID EKKh1FXRVVD
InChI InChI=1S/C21H31BrO5/c1-8-13-20(5,6)17(25-7)12-11-14-21(15-16(4)22,18(23)26-9-2)19(24)27-10-3/h8,17H,1,4,9-10,13-15H2,2-3,5-7H3
InChIKey OAQQPFNNQREFHK-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 4YKVttZErQS
Name Diethyl 2-bromo-9,9-dimethyl-8-methoxydodeca-1,11-dien-6-yne-4,4-dicarboxylate
Alternate Name(s) Diethyl 2-(2-bromo-2-propenyl)-2-(4-methoxy-5,5-dimethyl-7-octen-2-ynyl)malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31BrO5
InChI InChI=1S/C21H31BrO5/c1-8-13-20(5,6)17(25-7)12-11-14-21(15-16(4)22,18(23)26-9-2)19(24)27-10-3/h8,17H,1,4,9-10,13-15H2,2-3,5-7H3
InChIKey OAQQPFNNQREFHK-UHFFFAOYSA-N
Molecular Weight 443.378 g/mol
SMILES C(C(=O)OCC)(C(=O)OCC)(CC(=C)Br)CC#CC(C(CC=C)(C)C)OC
SPLASH splash10-0a6r-9573000000-6f6bc1627d142b43bda1
Source of Spectrum F-52-11556-14
Wiley ID 798531