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Carbamic acid, N-(2-butyl)-N-pentyl-, 2,2,2-trichloroethyl ester
SpectraBase Compound ID KvNIRFbzOAQ
InChI InChI=1S/C12H22Cl3NO2/c1-4-6-7-8-16(10(3)5-2)11(17)18-9-12(13,14)15/h10H,4-9H2,1-3H3
InChIKey RZRBTEQNIIULCQ-UHFFFAOYSA-N
Mol Weight 318.67 g/mol
Molecular Formula C12H22Cl3NO2
Exact Mass 317.071612 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KZIvndvGIKH
Name Carbamic acid, N-(2-butyl)-N-pentyl-, 2,2,2-trichloroethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.071612050 u
Formula C12H22Cl3NO2
InChI InChI=1S/C12H22Cl3NO2/c1-4-6-7-8-16(10(3)5-2)11(17)18-9-12(13,14)15/h10H,4-9H2,1-3H3
InChIKey RZRBTEQNIIULCQ-UHFFFAOYSA-N
Molecular Weight 318.672 g/mol
SMILES C(N(CCCCC)C(CC)C)(=O)OCC(Cl)(Cl)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.822652