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3-quinazolineacetic acid, 3,4-dihydro-4-oxo-, 2-[(1,1-dioxido-1,2-benzisothiazol-3-yl)methylamino]ethyl ester
SpectraBase Compound ID 3ts6F26Tbnt
InChI InChI=1S/C20H18N4O5S/c1-23(19-15-7-3-5-9-17(15)30(27,28)22-19)10-11-29-18(25)12-24-13-21-16-8-4-2-6-14(16)20(24)26/h2-9,13H,10-12H2,1H3
InChIKey DSFDHOQALWRIPK-UHFFFAOYSA-N
Mol Weight 426.45 g/mol
Molecular Formula C20H18N4O5S
Exact Mass 426.099791 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CusIy2cpnag
Name 3-quinazolineacetic acid, 3,4-dihydro-4-oxo-, 2-[(1,1-dioxido-1,2-benzisothiazol-3-yl)methylamino]ethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.099790865 u
Formula C20H18N4O5S
InChI InChI=1S/C20H18N4O5S/c1-23(19-15-7-3-5-9-17(15)30(27,28)22-19)10-11-29-18(25)12-24-13-21-16-8-4-2-6-14(16)20(24)26/h2-9,13H,10-12H2,1H3
InChIKey DSFDHOQALWRIPK-UHFFFAOYSA-N
Molecular Weight 426.447 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4710
Solvent DMSO-d6
Source Vendor ID: NMR/9273525; Lab Info: LP; Lab Number: LP-0190701
Temperature 29.85 °C