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Methyl 3'-chloro-2'-methylsuccinanilate

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

Methyl 3'-chloro-2'-methylsuccinanilate
SpectraBase Compound ID FPPR9UF5EYQ
InChI InChI=1S/C12H14ClNO3/c1-8-9(13)4-3-5-10(8)14-11(15)6-7-12(16)17-2/h3-5H,6-7H2,1-2H3,(H,14,15)
InChIKey BDHNYHOVLQBBOM-UHFFFAOYSA-N
Mol Weight 255.7 g/mol
Molecular Formula C12H14ClNO3
Exact Mass 255.066221 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID F55jLVStgcn
Name Methyl 3'-chloro-2'-methylsuccinanilate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 255.066221012 u
Formula C12H14ClNO3
InChI InChI=1S/C12H14ClNO3/c1-8-9(13)4-3-5-10(8)14-11(15)6-7-12(16)17-2/h3-5H,6-7H2,1-2H3,(H,14,15)
InChIKey BDHNYHOVLQBBOM-UHFFFAOYSA-N
Molecular Weight 255.701 g/mol
SMILES C1(=C(NC(=O)CCC(OC)=O)C=CC=C1Cl)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.938803