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

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Carbonic acid, monoamide, N-octyl-, 3-chloropropyl ester
SpectraBase Compound ID 2Mt5G4gJI8y
InChI InChI=1S/C12H24ClNO2/c1-2-3-4-5-6-7-10-14-12(15)16-11-8-9-13/h2-11H2,1H3,(H,14,15)
InChIKey WTOLYDODGLSBJX-UHFFFAOYSA-N
Mol Weight 249.78 g/mol
Molecular Formula C12H24ClNO2
Exact Mass 249.149557 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 48F56MM6qVa
Name Carbonic acid, monoamide, N-octyl-, 3-chloropropyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 249.149556715 u
Formula C12H24ClNO2
InChI InChI=1S/C12H24ClNO2/c1-2-3-4-5-6-7-10-14-12(15)16-11-8-9-13/h2-11H2,1H3,(H,14,15)
InChIKey WTOLYDODGLSBJX-UHFFFAOYSA-N
Molecular Weight 249.782 g/mol
SMILES C(CCNC(OCCCCl)=O)CCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.907171