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3C-p pe

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

3C-p pe
SpectraBase Compound ID Cntbmfu1QGx
InChI InChI=1S/C19H33NO3/c1-6-8-9-10-20-15(3)12-16-13-17(21-4)19(23-11-7-2)18(14-16)22-5/h13-15,20H,6-12H2,1-5H3
InChIKey FCTXUADLRKJEBY-UHFFFAOYSA-N
Mol Weight 323.5 g/mol
Molecular Formula C19H33NO3
Exact Mass 323.246044 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DJinfATlpCG
Name 3C-p pe
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.246043924 u
Formula C19H33NO3
InChI InChI=1S/C19H33NO3/c1-6-8-9-10-20-15(3)12-16-13-17(21-4)19(23-11-7-2)18(14-16)22-5/h13-15,20H,6-12H2,1-5H3
InChIKey FCTXUADLRKJEBY-UHFFFAOYSA-N
Molecular Weight 323.477 g/mol
SMILES C1(=C(C=C(C=C1OC)CC(NCCCCC)C)OC)OCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954357