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1-Chloro-6,6-bis(ethyloxycarbonyl)hex-5-ene

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

1-Chloro-6,6-bis(ethyloxycarbonyl)hex-5-ene
SpectraBase Compound ID EjP8HchZ8Ea
InChI InChI=1S/C12H19ClO4/c1-3-16-11(14)10(12(15)17-4-2)8-6-5-7-9-13/h8H,3-7,9H2,1-2H3
InChIKey AAHFRBIGXMDPPI-UHFFFAOYSA-N
Mol Weight 262.73 g/mol
Molecular Formula C12H19ClO4
Exact Mass 262.097187 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3mR3RlP65VH
Name 1-Chloro-6,6-bis(ethyloxycarbonyl)hex-5-ene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 262.097186788 u
Formula C12H19ClO4
InChI InChI=1S/C12H19ClO4/c1-3-16-11(14)10(12(15)17-4-2)8-6-5-7-9-13/h8H,3-7,9H2,1-2H3
InChIKey AAHFRBIGXMDPPI-UHFFFAOYSA-N
Molecular Weight 262.733 g/mol
SMILES C(CCCC=C(C(=O)OCC)C(=O)OCC)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931048