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Isonipecotic acid, N-(3-chloropropionyl)-, decyl ester

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

Isonipecotic acid, N-(3-chloropropionyl)-, decyl ester
SpectraBase Compound ID ELIh2NAvvsf
InChI InChI=1S/C19H34ClNO3/c1-2-3-4-5-6-7-8-9-16-24-19(23)17-11-14-21(15-12-17)18(22)10-13-20/h17H,2-16H2,1H3
InChIKey GTFRIZHRPVYTCX-UHFFFAOYSA-N
Mol Weight 359.9 g/mol
Molecular Formula C19H34ClNO3
Exact Mass 359.222722 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6DzFxeN4bWo
Name Isonipecotic acid, N-(3-chloropropionyl)-, decyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 359.222721656 u
Formula C19H34ClNO3
InChI InChI=1S/C19H34ClNO3/c1-2-3-4-5-6-7-8-9-16-24-19(23)17-11-14-21(15-12-17)18(22)10-13-20/h17H,2-16H2,1H3
InChIKey GTFRIZHRPVYTCX-UHFFFAOYSA-N
Molecular Weight 359.938 g/mol
SMILES CCCCCCCCCCOC(C1CCN(C(CCCl)=O)CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.852458