2-[1-(4-Bromophenyl)ethenyl]cyclopropane-1,1-dicarboxylic acid dimethyl ester

SpectraBase Compound ID	2I0ajUJunSN
InChI	InChI=1S/C15H15BrO4/c1-9(10-4-6-11(16)7-5-10)12-8-15(12,13(17)19-2)14(18)20-3/h4-7,12H,1,8H2,2-3H3
InChIKey	LNRZJIMLBKSTTG-UHFFFAOYSA-N Google Search
Mol Weight	339.19 g/mol
Molecular Formula	C15H15BrO4
Exact Mass	338.015372 g/mol

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SpectraBase Spectrum ID	8Snq5owLY1F
Name	2-[1-(4-Bromophenyl)ethenyl]cyclopropane-1,1-dicarboxylic acid dimethyl ester
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	338.015371959 u
Formula	C15H15BrO4
InChI	InChI=1S/C15H15BrO4/c1-9(10-4-6-11(16)7-5-10)12-8-15(12,13(17)19-2)14(18)20-3/h4-7,12H,1,8H2,2-3H3
InChIKey	LNRZJIMLBKSTTG-UHFFFAOYSA-N
Molecular Weight	339.185 g/mol
SMILES	C1(C(C(C=2C=CC(=CC2)Br)=C)C1)(C(=O)OC)C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR)	0.889226