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(E)-Diethyl 2-(2-(2-bromocyclo-1-nonen-1-yl)ethyl)-2-(2-methallyl)malonate
SpectraBase Compound ID AzP0btSQbnJ
InChI InChI=1S/C21H33BrO4/c1-5-25-19(23)21(14-16(3)4,20(24)26-6-2)15-17-12-10-8-7-9-11-13-18(17)22/h13,17H,3,5-12,14-15H2,1-2,4H3/b18-13+
InChIKey CXNFJDZLJHUXDP-QGOAFFKASA-N
Mol Weight 429.4 g/mol
Molecular Formula C21H33BrO4
Exact Mass 428.156223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FOTOHmWIUx8
Name (E)-Diethyl 2-(2-(2-bromocyclo-1-nonen-1-yl)ethyl)-2-(2-methallyl)malonate
Alternate Name(s) (E)-diethyl 2-((2-bromocyclonon-2-en-1-yl)methyl)-2-(2-methylallyl)malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H33BrO4
InChI InChI=1S/C21H33BrO4/c1-5-25-19(23)21(14-16(3)4,20(24)26-6-2)15-17-12-10-8-7-9-11-13-18(17)22/h13,17H,3,5-12,14-15H2,1-2,4H3/b18-13+
InChIKey CXNFJDZLJHUXDP-QGOAFFKASA-N
Literature Reference DOI 10.1039/c4cc01597e
Molecular Weight 429.395 g/mol
SMILES C(OCC)(=O)C(C(=O)OCC)(CC1\C(=C/CCCCCC1)Br)CC(=C)C
SPLASH splash10-01ot-0389000000-5962b798c05bdc52d20b
Source of Spectrum KD-50-5993/SM-4m
Wiley ID 1754573