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Op3Ec

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

Op3Ec
SpectraBase Compound ID 8ePtgtUgBw
InChI InChI=1S/C21H34O5/c1-5-6-7-12-21(2,3)18-8-10-19(11-9-18)26-16-15-24-13-14-25-17-20(22)23-4/h8-11H,5-7,12-17H2,1-4H3
InChIKey FUSSVBHONWUFNX-UHFFFAOYSA-N
Mol Weight 366.5 g/mol
Molecular Formula C21H34O5
Exact Mass 366.240624 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9KgmmK488lW
Name Op3Ec
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.240624190 u
Formula C21H34O5
InChI InChI=1S/C21H34O5/c1-5-6-7-12-21(2,3)18-8-10-19(11-9-18)26-16-15-24-13-14-25-17-20(22)23-4/h8-11H,5-7,12-17H2,1-4H3
InChIKey FUSSVBHONWUFNX-UHFFFAOYSA-N
Molecular Weight 366.498 g/mol
SMILES C(C=1C=CC(=CC1)OCCOCCOCC(=O)OC)(CCCCC)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.984296