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2-[(2-{2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl}-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-benzyl-N-ethylacetamide
SpectraBase Compound ID Ht5G9IwVN1p
InChI InChI=1S/C31H29N5O5S/c1-2-35(17-20-8-4-3-5-9-20)28(38)18-42-31-34-23-11-7-6-10-22(23)29-33-24(30(39)36(29)31)15-27(37)32-16-21-12-13-25-26(14-21)41-19-40-25/h3-14,24H,2,15-19H2,1H3,(H,32,37)
InChIKey IGIQDYZCQRLALJ-UHFFFAOYSA-N
Mol Weight 583.66 g/mol
Molecular Formula C31H29N5O5S
Exact Mass 583.18894 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FtPwTpmc0Jp
Name 2-[(2-{2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl}-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-benzyl-N-ethylacetamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 583.188940223 u
Formula C31H29N5O5S
InChI InChI=1S/C31H29N5O5S/c1-2-35(17-20-8-4-3-5-9-20)28(38)18-42-31-34-23-11-7-6-10-22(23)29-33-24(30(39)36(29)31)15-27(37)32-16-21-12-13-25-26(14-21)41-19-40-25/h3-14,24H,2,15-19H2,1H3,(H,32,37)
InChIKey IGIQDYZCQRLALJ-UHFFFAOYSA-N
Molecular Weight 583.663 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_4243
Solvent DMSO-d6
Source Vendor ID: NMR/12309056