![2-phthalazineacetamide, 1,2-dihydro-N-[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1-oxo-](/api/spectrum/90sGyZUnMe0/structure.png?h=300&w=458 "2-phthalazineacetamide, 1,2-dihydro-N-[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1-oxo-")
| SpectraBase Compound ID | Kdwx53TDqFU |
|---|---|
| InChI | InChI=1S/C32H36N4O5S/c1-20(2)26-18-27(22(4)16-28(26)37)33-30(38)19-36-32(39)25-11-7-6-10-24(25)31(34-36)23-13-12-21(3)29(17-23)42(40,41)35-14-8-5-9-15-35/h6-7,10-13,16-18,20,37H,5,8-9,14-15,19H2,1-4H3,(H,33,38) |
| InChIKey | MXCREQYUPKHICT-UHFFFAOYSA-N |
| Mol Weight | 588.7 g/mol |
| Molecular Formula | C32H36N4O5S |
| Exact Mass | 588.240641 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 90sGyZUnMe0 |
|---|---|
| Name | 2-phthalazineacetamide, 1,2-dihydro-N-[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1-oxo- |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 588.240641444 u |
| Formula | C32H36N4O5S |
| InChI | InChI=1S/C32H36N4O5S/c1-20(2)26-18-27(22(4)16-28(26)37)33-30(38)19-36-32(39)25-11-7-6-10-24(25)31(34-36)23-13-12-21(3)29(17-23)42(40,41)35-14-8-5-9-15-35/h6-7,10-13,16-18,20,37H,5,8-9,14-15,19H2,1-4H3,(H,33,38) |
| InChIKey | MXCREQYUPKHICT-UHFFFAOYSA-N |
| Molecular Weight | 588.723 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2017_16447 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/10310149; Lab Info: ZUB; Lab Number: ZUB-0000875 |