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1-Acetoxy-5,5-bis(ethyloxycarbonyl)pent-4-ene

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

1-Acetoxy-5,5-bis(ethyloxycarbonyl)pent-4-ene
SpectraBase Compound ID BzcU0dchvHP
InChI InChI=1S/C13H20O6/c1-4-17-12(15)11(13(16)18-5-2)8-6-7-9-19-10(3)14/h8H,4-7,9H2,1-3H3
InChIKey QXFRLFKMEBSQCU-UHFFFAOYSA-N
Mol Weight 272.3 g/mol
Molecular Formula C13H20O6
Exact Mass 272.125988 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6HAOjn2bv3k
Name 1-Acetoxy-5,5-bis(ethyloxycarbonyl)pent-4-ene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.125988358 u
Formula C13H20O6
InChI InChI=1S/C13H20O6/c1-4-17-12(15)11(13(16)18-5-2)8-6-7-9-19-10(3)14/h8H,4-7,9H2,1-3H3
InChIKey QXFRLFKMEBSQCU-UHFFFAOYSA-N
Molecular Weight 272.297 g/mol
SMILES C(CCC=C(C(=O)OCC)C(=O)OCC)OC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.894836