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Glycine, N-(4-butylbenzoyl)-, hexyl ester

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Glycine, N-(4-butylbenzoyl)-, hexyl ester
SpectraBase Compound ID B37jFBlaNAB
InChI InChI=1S/C19H29NO3/c1-3-5-7-8-14-23-18(21)15-20-19(22)17-12-10-16(11-13-17)9-6-4-2/h10-13H,3-9,14-15H2,1-2H3,(H,20,22)
InChIKey GZGSRGMBALPOFW-UHFFFAOYSA-N
Mol Weight 319.45 g/mol
Molecular Formula C19H29NO3
Exact Mass 319.214744 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4DlV5o3XOVg
Name Glycine, N-(4-butylbenzoyl)-, hexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 319.214743795 u
Formula C19H29NO3
InChI InChI=1S/C19H29NO3/c1-3-5-7-8-14-23-18(21)15-20-19(22)17-12-10-16(11-13-17)9-6-4-2/h10-13H,3-9,14-15H2,1-2H3,(H,20,22)
InChIKey GZGSRGMBALPOFW-UHFFFAOYSA-N
Molecular Weight 319.445 g/mol
SMILES C1=CC(=CC=C1C(NCC(OCCCCCC)=O)=O)CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.869865