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Propanedioic acid, (2-bromo-2-cyclohexen-1-yl)-2-propenyl-, diethyl ester
SpectraBase Compound ID LLtZZbXdjhY
InChI InChI=1S/C16H23BrO4/c1-4-11-16(14(18)20-5-2,15(19)21-6-3)12-9-7-8-10-13(12)17/h4,10,12H,1,5-9,11H2,2-3H3
InChIKey LQNAZMDVTQLOOL-UHFFFAOYSA-N
Mol Weight 359.26 g/mol
Molecular Formula C16H23BrO4
Exact Mass 358.077972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EOuNsmSVflZ
Name Propanedioic acid, (2-bromo-2-cyclohexen-1-yl)-2-propenyl-, diethyl ester
Alternate Name(s) Diethyl 2-allyl-2-(2-bromo-2-cyclohexen-1-yl)malonate Diethyl allyl-2-brmocyclohex-2-enylmalonate
CAS Registry Number 130259-70-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23BrO4
InChI InChI=1S/C16H23BrO4/c1-4-11-16(14(18)20-5-2,15(19)21-6-3)12-9-7-8-10-13(12)17/h4,10,12H,1,5-9,11H2,2-3H3
InChIKey LQNAZMDVTQLOOL-UHFFFAOYSA-N
Molecular Weight 359.260 g/mol
SMILES C(C1C(=CCCC1)Br)(C(=O)OCC)(C(=O)OCC)CC=C
SPLASH splash10-004i-1290000000-694cac46e968644bea1f
Source of Spectrum F-46-4010-12
Wiley ID 1346838