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Diethyl 2-(2-bromocyclohex-2-enyl)malonate

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

Diethyl 2-(2-bromocyclohex-2-enyl)malonate
SpectraBase Compound ID ICOma2pX3FL
InChI InChI=1S/C13H19BrO4/c1-3-17-12(15)11(13(16)18-4-2)9-7-5-6-8-10(9)14/h8-9,11H,3-7H2,1-2H3
InChIKey VCLFEAGRMGZELS-UHFFFAOYSA-N
Mol Weight 319.2 g/mol
Molecular Formula C13H19BrO4
Exact Mass 318.046672 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Im0W8JjosZJ
Name Diethyl 2-(2-bromocyclohex-2-enyl)malonate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.046672088 u
Formula C13H19BrO4
InChI InChI=1S/C13H19BrO4/c1-3-17-12(15)11(13(16)18-4-2)9-7-5-6-8-10(9)14/h8-9,11H,3-7H2,1-2H3
InChIKey VCLFEAGRMGZELS-UHFFFAOYSA-N
Molecular Weight 319.195 g/mol
SMILES C(C1C(=CCCC1)Br)(C(=O)OCC)C(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.992484