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3C-al Form

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

3C-al Form
SpectraBase Compound ID I7tEdHYRUGz
InChI InChI=1S/C15H21NO4/c1-5-6-20-15-13(18-3)8-12(9-14(15)19-4)7-11(2)16-10-17/h5,8-11H,1,6-7H2,2-4H3,(H,16,17)
InChIKey WMAZPTVXSOMDKL-UHFFFAOYSA-N
Mol Weight 279.34 g/mol
Molecular Formula C15H21NO4
Exact Mass 279.147058 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 10sYXQss7IZ
Name 3C-al Form
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 279.147058156 u
Formula C15H21NO4
InChI InChI=1S/C15H21NO4/c1-5-6-20-15-13(18-3)8-12(9-14(15)19-4)7-11(2)16-10-17/h5,8-11H,1,6-7H2,2-4H3,(H,16,17)
InChIKey WMAZPTVXSOMDKL-UHFFFAOYSA-N
Molecular Weight 279.336 g/mol
SMILES C1(=C(C=C(C=C1OC)CC(NC=O)C)OC)OCC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948698