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(E)-10-(1',1'-Bis(ethoxycarbonyl)ethyl)-10-octadecen-8-one

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

(E)-10-(1',1'-Bis(ethoxycarbonyl)ethyl)-10-octadecen-8-one
SpectraBase Compound ID KBQZNjxVB5m
InChI InChI=1S/C26H46O5/c1-6-10-12-14-16-17-19-22(21-23(27)20-18-15-13-11-7-2)26(5,24(28)30-8-3)25(29)31-9-4/h19H,6-18,20-21H2,1-5H3/b22-19+
InChIKey GHRSHSQMUPVTQP-ZBJSNUHESA-N
Mol Weight 438.6 g/mol
Molecular Formula C26H46O5
Exact Mass 438.334525 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Lf4cjv1TWnC
Name (E)-10-(1',1'-bis(Ethoxycarbonyl)ethyl)-10-octadecen-8-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.334524576 u
Formula C26H46O5
InChI InChI=1S/C26H46O5/c1-6-10-12-14-16-17-19-22(21-23(27)20-18-15-13-11-7-2)26(5,24(28)30-8-3)25(29)31-9-4/h19H,6-18,20-21H2,1-5H3/b22-19+
InChIKey GHRSHSQMUPVTQP-ZBJSNUHESA-N
Molecular Weight 438.649 g/mol
SMILES C(\C(CC(=O)CCCCCCC)=C\CCCCCCC)(C(=O)OCC)(C(=O)OCC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.968173