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3C-al 2All

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

3C-al 2All
SpectraBase Compound ID 8slFeK0k73o
InChI InChI=1S/C20H29NO3/c1-7-10-21(11-8-2)16(4)13-17-14-18(22-5)20(24-12-9-3)19(15-17)23-6/h7-9,14-16H,1-3,10-13H2,4-6H3
InChIKey HJGGSXAMTPXCSN-UHFFFAOYSA-N
Mol Weight 331.46 g/mol
Molecular Formula C20H29NO3
Exact Mass 331.214744 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7oURayKklJa
Name 3C-al 2All
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.214743795 u
Formula C20H29NO3
InChI InChI=1S/C20H29NO3/c1-7-10-21(11-8-2)16(4)13-17-14-18(22-5)20(24-12-9-3)19(15-17)23-6/h7-9,14-16H,1-3,10-13H2,4-6H3
InChIKey HJGGSXAMTPXCSN-UHFFFAOYSA-N
Molecular Weight 331.456 g/mol
SMILES C1(=C(C=C(C=C1OC)CC(N(CC=C)CC=C)C)OC)OCC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.964229