13C nuclear magnetic resonance spectroscopy (13C NMR)
URL: https://www.chemotion-repository.net/inchikey/LJGVKISWFROJMH-UHFFFAOYSA-N/NMR/13C/CDCl3/100.1
Dataset description:
dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n
Source: 13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
| InChI | InChI=1S/C22H25ClN2O3S/c1-3-27-21(26)9-6-12-25-20-8-5-4-7-19(20)24-22(25)29-14-13-28-17-10-11-18(23)16(2)15-17/h4-5,7-8,10-11,15H,3,6,9,12-14H2,1-2H3 |
|---|---|
| SMILES | CCOC(=O)CCCn1c(SCCOc2ccc(c(c2)C)Cl)nc2c1cccc2 |
| InChI Key | LJGVKISWFROJMH-UHFFFAOYSA-N |
| Molecular Formula | C22H25ClN2O3S |
| Exact Mass | 432.963 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | September 7, 2024 |
| Metadata last updated | September 7, 2024 |
| Created | September 7, 2024 |
| Format | HTML |
| License | No License Provided |
| Id | edf4c352-89ff-440f-a869-8765827029cf |
| Package id | 10-14272-ljgvkiswfrojmh-uhfffaoysa-n-nmr-13c-cdcl3-100-1 |
| Resource type | HTML |
| State | active |