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

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Carbonic acid, monoamide, N-nonyl-, 3-chloropropyl ester
SpectraBase Compound ID K6DAxv7V8JB
InChI InChI=1S/C13H26ClNO2/c1-2-3-4-5-6-7-8-11-15-13(16)17-12-9-10-14/h2-12H2,1H3,(H,15,16)
InChIKey ROUSBLUPDOBHBA-UHFFFAOYSA-N
Mol Weight 263.81 g/mol
Molecular Formula C13H26ClNO2
Exact Mass 263.165207 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID E3o0ta6PFbX
Name Carbonic acid, monoamide, 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 263.165206779 u
Formula C13H26ClNO2
InChI InChI=1S/C13H26ClNO2/c1-2-3-4-5-6-7-8-11-15-13(16)17-12-9-10-14/h2-12H2,1H3,(H,15,16)
InChIKey ROUSBLUPDOBHBA-UHFFFAOYSA-N
Molecular Weight 263.809 g/mol
SMILES C(CCNC(OCCCCl)=O)CCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.881358