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Tert-butyl 3,3-bis(ethoxycarbonyl)hex-5-enoate

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

Tert-butyl 3,3-bis(ethoxycarbonyl)hex-5-enoate
SpectraBase Compound ID JLS4mTKUC1T
InChI InChI=1S/C16H26O6/c1-7-10-16(13(18)20-8-2,14(19)21-9-3)11-12(17)22-15(4,5)6/h7H,1,8-11H2,2-6H3
InChIKey HIEXNEOBCHCQRA-UHFFFAOYSA-N
Mol Weight 314.38 g/mol
Molecular Formula C16H26O6
Exact Mass 314.172939 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9D1N5LKfvlb
Name Tert-butyl 3,3-bis(ethoxycarbonyl)hex-5-enoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.172938551 u
Formula C16H26O6
InChI InChI=1S/C16H26O6/c1-7-10-16(13(18)20-8-2,14(19)21-9-3)11-12(17)22-15(4,5)6/h7H,1,8-11H2,2-6H3
InChIKey HIEXNEOBCHCQRA-UHFFFAOYSA-N
Molecular Weight 314.378 g/mol
SMILES C(=O)(OC(C)(C)C)CC(CC=C)(C(=O)OCC)C(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.974957