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.beta.-Alanine, N-caproyl-, nonyl ester
SpectraBase Compound ID 3FexLykWff1
InChI InChI=1S/C18H35NO3/c1-3-5-7-8-9-10-12-16-22-18(21)14-15-19-17(20)13-11-6-4-2/h3-16H2,1-2H3,(H,19,20)
InChIKey WBHNVWZAOOOOFY-UHFFFAOYSA-N
Mol Weight 313.5 g/mol
Molecular Formula C18H35NO3
Exact Mass 313.261694 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BMkoJ55BmbO
Name .beta.-Alanine, N-caproyl-, nonyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 313.261693988 u
Formula C18H35NO3
InChI InChI=1S/C18H35NO3/c1-3-5-7-8-9-10-12-16-22-18(21)14-15-19-17(20)13-11-6-4-2/h3-16H2,1-2H3,(H,19,20)
InChIKey WBHNVWZAOOOOFY-UHFFFAOYSA-N
SMILES CCCCCC(NCCC(OCCCCCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949618