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pyrimido[4,5-b]quinolin-4(3H)-one, 6,7,8,9-tetrahydro-2-mercapto-3-(phenylmethyl)-
SpectraBase Compound ID 9dBXZRcBGCU
InChI InChI=1S/C18H17N3OS/c22-17-14-10-13-8-4-5-9-15(13)19-16(14)20-18(23)21(17)11-12-6-2-1-3-7-12/h1-3,6-7,10H,4-5,8-9,11H2,(H,19,20,23)
InChIKey NZVRQKBCEXCWOL-UHFFFAOYSA-N
Mol Weight 323.41 g/mol
Molecular Formula C18H17N3OS
Exact Mass 323.109233 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AvsQqBda8MV
Name pyrimido[4,5-b]quinolin-4(3H)-one, 6,7,8,9-tetrahydro-2-mercapto-3-(phenylmethyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.109233352 u
Formula C18H17N3OS
InChI InChI=1S/C18H17N3OS/c22-17-14-10-13-8-4-5-9-15(13)19-16(14)20-18(23)21(17)11-12-6-2-1-3-7-12/h1-3,6-7,10H,4-5,8-9,11H2,(H,19,20,23)
InChIKey NZVRQKBCEXCWOL-UHFFFAOYSA-N
Molecular Weight 323.414 g/mol
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4562
Solvent DMSO-d6
Source Vendor ID: ZI/9049835; Lab Info: ART; Lab Number: HAS-028