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Carbonic acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, butyl ester

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Carbonic acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, butyl ester
SpectraBase Compound ID OeItMc0IEK
InChI InChI=1S/C12H16ClNO3/c1-3-4-7-17-12(15)14-10-8-9(13)5-6-11(10)16-2/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)
InChIKey NMTSXBAQNHYCQR-UHFFFAOYSA-N
Mol Weight 257.72 g/mol
Molecular Formula C12H16ClNO3
Exact Mass 257.081871 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5T0EVmuT5Rh
Name Carbonic acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, butyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 257.081871076 u
Formula C12H16ClNO3
InChI InChI=1S/C12H16ClNO3/c1-3-4-7-17-12(15)14-10-8-9(13)5-6-11(10)16-2/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)
InChIKey NMTSXBAQNHYCQR-UHFFFAOYSA-N
SMILES C(OC(=O)NC=1C(OC)=CC=C(C1)Cl)CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.828012