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5-(Benzo[D][1,3]dioxol-5-yl)-N-(2-methylbutyl)pent-2-enamide

View entire compound with spectra: 1 NMR, and 1 FTIR

5-(Benzo[D][1,3]dioxol-5-yl)-N-(2-methylbutyl)pent-2-enamide
SpectraBase Compound ID e1Vp6RDZPJ
InChI InChI=1S/C17H23NO3/c1-3-13(2)11-18-17(19)7-5-4-6-14-8-9-15-16(10-14)21-12-20-15/h5,7-10,13H,3-4,6,11-12H2,1-2H3,(H,18,19)/b7-5+
InChIKey KTVRDCARZOFNIG-FNORWQNLSA-N
Mol Weight 289.38 g/mol
Molecular Formula C17H23NO3
Exact Mass 289.167794 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FHPlJ0YRiFH
Name 5-(Benzo[D][1,3]dioxol-5-yl)-N-(2-methylbutyl)pent-2-enamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 289.167793602 u
Formula C17H23NO3
InChI InChI=1S/C17H23NO3/c1-3-13(2)11-18-17(19)7-5-4-6-14-8-9-15-16(10-14)21-12-20-15/h5,7-10,13H,3-4,6,11-12H2,1-2H3,(H,18,19)/b7-5+
InChIKey KTVRDCARZOFNIG-FNORWQNLSA-N
SMILES C(\C=C\CCC1=CC2=C(OCO2)C=C1)(=O)NCC(CC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.974829