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Carbonic acid, monoamide, N-(2-pentyl)-N-nonyl-, 3-chloropropyl ester

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Carbonic acid, monoamide, N-(2-pentyl)-N-nonyl-, 3-chloropropyl ester
SpectraBase Compound ID 7dXEXMBR3re
InChI InChI=1S/C18H36ClNO2/c1-4-6-7-8-9-10-11-15-20(17(3)13-5-2)18(21)22-16-12-14-19/h17H,4-16H2,1-3H3
InChIKey UEAMAFIJZVAPBW-UHFFFAOYSA-N
Mol Weight 333.9 g/mol
Molecular Formula C18H36ClNO2
Exact Mass 333.243457 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BF0mgc7M057
Name Carbonic acid, monoamide, N-(2-pentyl)-N-nonyl-, 3-chloropropyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 333.243457101 u
Formula C18H36ClNO2
InChI InChI=1S/C18H36ClNO2/c1-4-6-7-8-9-10-11-15-20(17(3)13-5-2)18(21)22-16-12-14-19/h17H,4-16H2,1-3H3
InChIKey UEAMAFIJZVAPBW-UHFFFAOYSA-N
Molecular Weight 333.944 g/mol
SMILES CCCC(C)N(C(OCCCCl)=O)CCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956159