![3-amino-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-2-[(1-{[(tetrahydro-2-furanylmethyl)amino]carbonyl}propyl)sulfanyl]-3,4-dihydrothieno[2,3-](/api/spectrum/D5IxwoBxS5U/structure.png?h=300&w=458 "3-amino-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-2-[(1-{[(tetrahydro-2-furanylmethyl)amino]carbonyl}propyl)sulfanyl]-3,4-dihydrothieno[2,3-")
| SpectraBase Compound ID | Bu3eiFsW3x1 |
|---|---|
| InChI | InChI=1S/C25H31N5O4S2/c1-5-18(21(31)27-12-16-7-6-10-34-16)35-25-29-23-19(24(33)30(25)26)15(4)20(36-23)22(32)28-17-9-8-13(2)11-14(17)3/h8-9,11,16,18H,5-7,10,12,26H2,1-4H3,(H,27,31)(H,28,32) |
| InChIKey | NNGDCJQUYLFKIC-UHFFFAOYSA-N |
| Mol Weight | 529.67 g/mol |
| Molecular Formula | C25H31N5O4S2 |
| Exact Mass | 529.181747 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | D5IxwoBxS5U |
|---|---|
| Name | 3-amino-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-2-[(1-{[(tetrahydro-2-furanylmethyl)amino]carbonyl}propyl)sulfanyl]-3,4-dihydrothieno[2,3- |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 529.181746842 u |
| Formula | C25H31N5O4S2 |
| InChI | InChI=1S/C25H31N5O4S2/c1-5-18(21(31)27-12-16-7-6-10-34-16)35-25-29-23-19(24(33)30(25)26)15(4)20(36-23)22(32)28-17-9-8-13(2)11-14(17)3/h8-9,11,16,18H,5-7,10,12,26H2,1-4H3,(H,27,31)(H,28,32) |
| InChIKey | NNGDCJQUYLFKIC-UHFFFAOYSA-N |
| Molecular Weight | 529.674 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_8500 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/13219726 |