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2C-o-2 2bu

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

2C-o-2 2bu
SpectraBase Compound ID KxtS5bFaOPk
InChI InChI=1S/C20H35NO3/c1-6-9-12-21(13-10-7-2)14-11-17-15-19(23-5)20(24-8-3)16-18(17)22-4/h15-16H,6-14H2,1-5H3
InChIKey SFDJQFBFVUCUNR-UHFFFAOYSA-N
Mol Weight 337.5 g/mol
Molecular Formula C20H35NO3
Exact Mass 337.261694 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4h89xJndMLH
Name 2C-o-2 2bu
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 337.261693988 u
Formula C20H35NO3
InChI InChI=1S/C20H35NO3/c1-6-9-12-21(13-10-7-2)14-11-17-15-19(23-5)20(24-8-3)16-18(17)22-4/h15-16H,6-14H2,1-5H3
InChIKey SFDJQFBFVUCUNR-UHFFFAOYSA-N
Molecular Weight 337.504 g/mol
SMILES C=1(C(=CC(=C(C1)OC)OCC)OC)CCN(CCCC)CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.801089