| SpectraBase Compound ID | iI4kbYRku8 |
|---|---|
| InChI | InChI=1S/C19H17Cl2NO3S/c1-12-10-18(16(21)11-15(12)20)25-26(23,24)19-9-5-6-13-14(19)7-4-8-17(13)22(2)3/h4-11H,1-3H3 |
| InChIKey | VLRZKKMQTOCCKU-UHFFFAOYSA-N |
| Mol Weight | 410.32 g/mol |
| Molecular Formula | C19H17Cl2NO3S |
| Exact Mass | 409.03062 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H8APGcZIWlY |
|---|---|
| Name | 2,4-Dichloro-5-methylphenol, o-dansyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 409.030619982 u |
| Formula | C19H17Cl2NO3S |
| InChI | InChI=1S/C19H17Cl2NO3S/c1-12-10-18(16(21)11-15(12)20)25-26(23,24)19-9-5-6-13-14(19)7-4-8-17(13)22(2)3/h4-11H,1-3H3 |
| InChIKey | VLRZKKMQTOCCKU-UHFFFAOYSA-N |
| Molecular Weight | 410.315 g/mol |
| SMILES | C1(S(=O)(=O)OC=2C=C(C(=CC2Cl)Cl)C)=C2C=CC=C(C2=CC=C1)N(C)C |