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({3-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-oxo-3,4-dihydro-2-quinazolinyl}sulfanyl)acetic acid
SpectraBase Compound ID 48Rwg3ZzuQp
InChI InChI=1S/C15H13ClN4O3S/c16-10-7-17-19(8-10)5-6-20-14(23)11-3-1-2-4-12(11)18-15(20)24-9-13(21)22/h1-4,7-8H,5-6,9H2,(H,21,22)
InChIKey QZTGIUNFWFMGTC-UHFFFAOYSA-N
Mol Weight 364.81 g/mol
Molecular Formula C15H13ClN4O3S
Exact Mass 364.039689 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8j76WB0G1tO
Name ({3-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-oxo-3,4-dihydro-2-quinazolinyl}sulfanyl)acetic acid
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C15H13ClN4O3S/c16-10-7-17-19(8-10)5-6-20-14(23)11-3-1-2-4-12(11)18-15(20)24-9-13(21)22/h1-4,7-8H,5-6,9H2,(H,21,22)
InChIKey QZTGIUNFWFMGTC-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31022
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 1728253; SBI_ID: SBI-031026
Temperature 306 °C