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(E)-4-(1',1'-Bis(ethoxycarbonyl)ethyl)-4-dodecen-2-one

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

(E)-4-(1',1'-Bis(ethoxycarbonyl)ethyl)-4-dodecen-2-one
SpectraBase Compound ID 2PwMG9LIoXp
InChI InChI=1S/C20H34O5/c1-6-9-10-11-12-13-14-17(15-16(4)21)20(5,18(22)24-7-2)19(23)25-8-3/h14H,6-13,15H2,1-5H3/b17-14+
InChIKey WEYFIOVYPNVNNN-SAPNQHFASA-N
Mol Weight 354.5 g/mol
Molecular Formula C20H34O5
Exact Mass 354.240624 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7IA5iTJuErd
Name (E)-4-(1',1'-bis(Ethoxycarbonyl)ethyl)-4-dodecen-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.240624190 u
Formula C20H34O5
InChI InChI=1S/C20H34O5/c1-6-9-10-11-12-13-14-17(15-16(4)21)20(5,18(22)24-7-2)19(23)25-8-3/h14H,6-13,15H2,1-5H3/b17-14+
InChIKey WEYFIOVYPNVNNN-SAPNQHFASA-N
Molecular Weight 354.487 g/mol
SMILES C(\C(CC(=O)C)=C\CCCCCCC)(C(=O)OCC)(C(=O)OCC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.817439