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3C-al 2pe

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

3C-al 2pe
SpectraBase Compound ID D5sqEnTruCZ
InChI InChI=1S/C24H41NO3/c1-7-10-12-14-25(15-13-11-8-2)20(4)17-21-18-22(26-5)24(28-16-9-3)23(19-21)27-6/h9,18-20H,3,7-8,10-17H2,1-2,4-6H3
InChIKey ZSJJLOFOPZZHBD-UHFFFAOYSA-N
Mol Weight 391.6 g/mol
Molecular Formula C24H41NO3
Exact Mass 391.308644 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4mkkY7LxJUq
Name 3C-al 2pe
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 391.308644181 u
Formula C24H41NO3
InChI InChI=1S/C24H41NO3/c1-7-10-12-14-25(15-13-11-8-2)20(4)17-21-18-22(26-5)24(28-16-9-3)23(19-21)27-6/h9,18-20H,3,7-8,10-17H2,1-2,4-6H3
InChIKey ZSJJLOFOPZZHBD-UHFFFAOYSA-N
Molecular Weight 391.596 g/mol
SMILES C1(=C(C=C(C=C1OC)CC(N(CCCCC)CCCCC)C)OC)OCC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.973558