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Carbanilic acid, 3,4-dichloro-, 1,1-dimethyl-2-propynyl ester

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Carbanilic acid, 3,4-dichloro-, 1,1-dimethyl-2-propynyl ester
SpectraBase Compound ID ID7703eViK0
InChI InChI=1S/C12H11Cl2NO2/c1-4-12(2,3)17-11(16)15-8-5-6-9(13)10(14)7-8/h1,5-7H,2-3H3,(H,15,16)
InChIKey WKRVVHPEZNZOEE-UHFFFAOYSA-N
Mol Weight 272.13 g/mol
Molecular Formula C12H11Cl2NO2
Exact Mass 271.016684 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 1ecmRqk2Cd8
Name Carbanilic acid, 3,4-dichloro-, 1,1-dimethyl-2-propynyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 271.016683996 u
Formula C12H11Cl2NO2
InChI InChI=1S/C12H11Cl2NO2/c1-4-12(2,3)17-11(16)15-8-5-6-9(13)10(14)7-8/h1,5-7H,2-3H3,(H,15,16)
InChIKey WKRVVHPEZNZOEE-UHFFFAOYSA-N
SMILES N(C1=CC=C(C(=C1)Cl)Cl)C(OC(C)(C#C)C)=O
Spectrum/Structure Validation Score (Raman) 0.929737