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.beta.-Alanine, N-acryloyl-, hexyl ester

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.beta.-Alanine, N-acryloyl-, hexyl ester
SpectraBase Compound ID KaE2hzkbq8j
InChI InChI=1S/C12H21NO3/c1-3-5-6-7-10-16-12(15)8-9-13-11(14)4-2/h4H,2-3,5-10H2,1H3,(H,13,14)
InChIKey GAYWMVGWTMPYMR-UHFFFAOYSA-N
Mol Weight 227.3 g/mol
Molecular Formula C12H21NO3
Exact Mass 227.152144 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6AjdTC5eFHY
Name .beta.-Alanine, N-acryloyl-, hexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 227.152143537 u
Formula C12H21NO3
InChI InChI=1S/C12H21NO3/c1-3-5-6-7-10-16-12(15)8-9-13-11(14)4-2/h4H,2-3,5-10H2,1H3,(H,13,14)
InChIKey GAYWMVGWTMPYMR-UHFFFAOYSA-N
Molecular Weight 227.304 g/mol
SMILES C=CC(NCCC(OCCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.902222