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Diethyl [(8-bromomethyl-1-naphthyl)ethylene]malonate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Diethyl [(8-bromomethyl-1-naphthyl)ethylene]malonate
SpectraBase Compound ID 8ceFGbOKWBN
InChI InChI=1S/C19H19BrO4/c1-3-23-18(21)16(19(22)24-4-2)11-14-9-5-7-13-8-6-10-15(12-20)17(13)14/h5-11H,3-4,12H2,1-2H3
InChIKey VNUQDHKSALYEME-UHFFFAOYSA-N
Mol Weight 391.26 g/mol
Molecular Formula C19H19BrO4
Exact Mass 390.046672 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GOf2gzAcKwG
Name Diethyl [(8-bromomethyl-1-naphthyl)ethylene]malonate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.046672088 u
Formula C19H19BrO4
InChI InChI=1S/C19H19BrO4/c1-3-23-18(21)16(19(22)24-4-2)11-14-9-5-7-13-8-6-10-15(12-20)17(13)14/h5-11H,3-4,12H2,1-2H3
InChIKey VNUQDHKSALYEME-UHFFFAOYSA-N
Molecular Weight 391.261 g/mol
SMILES C(=CC1=C2C(CBr)=CC=CC2=CC=C1)(C(=O)OCC)C(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933981