13C nuclear magnetic resonance spectroscopy (13C NMR)
URL: https://www.chemotion-repository.net/inchikey/LBBYPGBSROMMJI-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/C28H25F6N3O2S/c29-27(30,31)20-15-19(16-21(17-20)28(32,33)34)18-35-25(38)11-6-12-37-24-10-5-4-9-23(24)36-26(37)40-14-13-39-22-7-2-1-3-8-22/h1-5,7-10,15-17H,6,11-14,18H2,(H,35,38) |
|---|---|
| SMILES | O=C(NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)CCCn1c(SCCOc2ccccc2)nc2c1cccc2 |
| InChI Key | LBBYPGBSROMMJI-UHFFFAOYSA-N |
| Molecular Formula | C28H25F6N3O2S |
| Exact Mass | 581.572 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 | a9253113-5a09-464a-9fa5-68ece2c38b6a |
| Package id | 10-14272-lbbypgbsrommji-uhfffaoysa-n-nmr-13c-cdcl3-100-1 |
| Resource type | HTML |
| State | active |