| SpectraBase Compound ID | I1fQprPeXpJ |
|---|---|
| InChI | InChI=1S/C16H15BrClNO2/c1-9-7-13(17)15(8-10(9)2)21-16(20)19-14-5-4-12(18)6-11(14)3/h4-8H,1-3H3,(H,19,20) |
| InChIKey | RCXCNCUTOVEAPE-UHFFFAOYSA-N |
| Mol Weight | 368.66 g/mol |
| Molecular Formula | C16H15BrClNO2 |
| Exact Mass | 366.997469 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GOC7fSgBuy1 |
|---|---|
| Name | 4-Chloro-2-methylcarbanilic acid, 6-bromo-3,4-xylyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.997469425 u |
| Formula | C16H15BrClNO2 |
| InChI | InChI=1S/C16H15BrClNO2/c1-9-7-13(17)15(8-10(9)2)21-16(20)19-14-5-4-12(18)6-11(14)3/h4-8H,1-3H3,(H,19,20) |
| InChIKey | RCXCNCUTOVEAPE-UHFFFAOYSA-N |
| Molecular Weight | 368.658 g/mol |
| SMILES | N(C1=CC=C(C=C1C)Cl)C(OC=1C=C(C(=CC1Br)C)C)=O |