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9-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)nonanamide

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

9-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)nonanamide
SpectraBase Compound ID D2XNMGC6ycp
InChI InChI=1S/C20H31NO3/c1-16(2)14-21-20(22)10-8-6-4-3-5-7-9-17-11-12-18-19(13-17)24-15-23-18/h11-13,16H,3-10,14-15H2,1-2H3,(H,21,22)
InChIKey GNOSQACJJSYDEN-UHFFFAOYSA-N
Mol Weight 333.47 g/mol
Molecular Formula C20H31NO3
Exact Mass 333.230394 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6uSOJewig6N
Name 9-(1,3-Benzodioxol-5-yl)-N-(2-methylpropyl)nonanamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 333.230393859 u
Formula C20H31NO3
InChI InChI=1S/C20H31NO3/c1-16(2)14-21-20(22)10-8-6-4-3-5-7-9-17-11-12-18-19(13-17)24-15-23-18/h11-13,16H,3-10,14-15H2,1-2H3,(H,21,22)
InChIKey GNOSQACJJSYDEN-UHFFFAOYSA-N
Molecular Weight 333.472 g/mol
SMILES C=12C(OCO2)=CC=C(C1)CCCCCCCCC(NCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.94447