![methanone, [4-amino-2-[[3-(trifluoromethyl)phenyl]amino]-5-thiazolyl]tricyclo[3.3.1.1~3,7~]dec-1-yl-](/api/spectrum/DCFDqBk5RKo/structure.png?h=300&w=458 "methanone, [4-amino-2-[[3-(trifluoromethyl)phenyl]amino]-5-thiazolyl]tricyclo[3.3.1.1~3,7~]dec-1-yl-")
| SpectraBase Compound ID | 4ituhl90Aq6 |
|---|---|
| InChI | InChI=1S/C21H22F3N3OS/c22-21(23,24)14-2-1-3-15(7-14)26-19-27-18(25)16(29-19)17(28)20-8-11-4-12(9-20)6-13(5-11)10-20/h1-3,7,11-13H,4-6,8-10,25H2,(H,26,27)/t11-,12+,13-,20- |
| InChIKey | HHEKIAWTLJKCOX-LOXOZFHKSA-N |
| Mol Weight | 421.48 g/mol |
| Molecular Formula | C21H22F3N3OS |
| Exact Mass | 421.143568 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | DCFDqBk5RKo |
|---|---|
| Name | methanone, [4-amino-2-[[3-(trifluoromethyl)phenyl]amino]-5-thiazolyl]tricyclo[3.3.1.1~3,7~]dec-1-yl- |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 421.143568002 u |
| Formula | C21H22F3N3OS |
| InChI | InChI=1S/C21H22F3N3OS/c22-21(23,24)14-2-1-3-15(7-14)26-19-27-18(25)16(29-19)17(28)20-8-11-4-12(9-20)6-13(5-11)10-20/h1-3,7,11-13H,4-6,8-10,25H2,(H,26,27)/t11-,12+,13-,20- |
| InChIKey | HHEKIAWTLJKCOX-LOXOZFHKSA-N |
| Molecular Weight | 421.482 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2021_2150 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/13268357 |