SpectraBase Compound ID | 2unjWXXSlEI |
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InChI | InChI=1S/C31H33ClN4O4/c1-20-16-21(2)29(22(3)17-20)34-28(38)19-36-26-13-7-5-11-24(26)30(39)35(31(36)40)15-9-8-14-27(37)33-18-23-10-4-6-12-25(23)32/h4-7,10-13,16-17H,8-9,14-15,18-19H2,1-3H3,(H,33,37)(H,34,38) |
InChIKey | CTADEISYMJHXAN-UHFFFAOYSA-N |
Mol Weight | 561.1 g/mol |
Molecular Formula | C31H33ClN4O4 |
Exact Mass | 560.219033 g/mol |
SpectraBase Spectrum ID | 4rKnCWyjX6W |
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Name | N-(2-chlorobenzyl)-5-(1-[2-(mesitylamino)-2-oxoethyl]-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)pentanamide |
Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 560.219033255 u |
Formula | C31H33ClN4O4 |
InChI | InChI=1S/C31H33ClN4O4/c1-20-16-21(2)29(22(3)17-20)34-28(38)19-36-26-13-7-5-11-24(26)30(39)35(31(36)40)15-9-8-14-27(37)33-18-23-10-4-6-12-25(23)32/h4-7,10-13,16-17H,8-9,14-15,18-19H2,1-3H3,(H,33,37)(H,34,38) |
InChIKey | CTADEISYMJHXAN-UHFFFAOYSA-N |
Molecular Weight | 561.082 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2020_6489 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/12328673 |