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3C-E 2All

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

3C-E 2All
SpectraBase Compound ID AqTyQFu6roZ
InChI InChI=1S/C19H29NO3/c1-7-10-20(11-8-2)15(4)12-16-13-17(21-5)19(23-9-3)18(14-16)22-6/h7-8,13-15H,1-2,9-12H2,3-6H3
InChIKey XKZHEPDPKULJBO-UHFFFAOYSA-N
Mol Weight 319.45 g/mol
Molecular Formula C19H29NO3
Exact Mass 319.214744 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ucDv7ndnWC
Name 3C-E 2All
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 319.214743795 u
Formula C19H29NO3
InChI InChI=1S/C19H29NO3/c1-7-10-20(11-8-2)15(4)12-16-13-17(21-5)19(23-9-3)18(14-16)22-6/h7-8,13-15H,1-2,9-12H2,3-6H3
InChIKey XKZHEPDPKULJBO-UHFFFAOYSA-N
Molecular Weight 319.445 g/mol
SMILES C1(=C(C=C(C=C1OC)CC(N(CC=C)CC=C)C)OC)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940836