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m-Methoxycarbanilic acid, 6-bromo-3,4-xylyl ester

View entire compound with spectra: 4 NMR, 1 FTIR, and 1 Raman

m-Methoxycarbanilic acid, 6-bromo-3,4-xylyl ester
SpectraBase Compound ID 1LLd1IuSgJZ
InChI InChI=1S/C16H16BrNO3/c1-10-7-14(17)15(8-11(10)2)21-16(19)18-12-5-4-6-13(9-12)20-3/h4-9H,1-3H3,(H,18,19)
InChIKey RTJNFJXFHSNVIP-UHFFFAOYSA-N
Mol Weight 350.21 g/mol
Molecular Formula C16H16BrNO3
Exact Mass 349.031356 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID LgpHamnCHYC
Name m-Methoxycarbanilic acid, 6-bromo-3,4-xylyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 349.031356376 u
Formula C16H16BrNO3
InChI InChI=1S/C16H16BrNO3/c1-10-7-14(17)15(8-11(10)2)21-16(19)18-12-5-4-6-13(9-12)20-3/h4-9H,1-3H3,(H,18,19)
InChIKey RTJNFJXFHSNVIP-UHFFFAOYSA-N
Molecular Weight 350.212 g/mol
SMILES N(C1=CC=CC(=C1)OC)C(OC=1C=C(C(=CC1Br)C)C)=O
Spectrum/Structure Validation Score (Raman) 0.933469