SpectraBase Compound ID | Kdwx53TDqFU |
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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 |
SpectraBase Spectrum ID | 90sGyZUnMe0 |
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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 |