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Carbonic acid, monoamide, N-hexadecyl-, 3-chloropropyl ester

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Carbonic acid, monoamide, N-hexadecyl-, 3-chloropropyl ester
SpectraBase Compound ID I9zTOddSU6P
InChI InChI=1S/C20H40ClNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-20(23)24-19-16-17-21/h2-19H2,1H3,(H,22,23)
InChIKey OHDOXPNNHYNXIQ-UHFFFAOYSA-N
Mol Weight 362.0 g/mol
Molecular Formula C20H40ClNO2
Exact Mass 361.274757 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Th7uARKoAF
Name Carbonic acid, monoamide, N-hexadecyl-, 3-chloropropyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 361.274757230 u
Formula C20H40ClNO2
InChI InChI=1S/C20H40ClNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-20(23)24-19-16-17-21/h2-19H2,1H3,(H,22,23)
InChIKey OHDOXPNNHYNXIQ-UHFFFAOYSA-N
Molecular Weight 361.998 g/mol
SMILES C(CCNC(OCCCCl)=O)CCCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.844153