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[(3-isopentyl-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetonitrile
SpectraBase Compound ID CCvcf5jbMdu
InChI InChI=1S/C17H17N3OS2/c1-11(2)7-9-20-16(21)15-14(19-17(20)22-10-8-18)12-5-3-4-6-13(12)23-15/h3-6,11H,7,9-10H2,1-2H3
InChIKey YCSBMWZVDGEWST-UHFFFAOYSA-N
Mol Weight 343.46 g/mol
Molecular Formula C17H17N3OS2
Exact Mass 343.081305 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7EHY6VvY9l7
Name [(3-isopentyl-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetonitrile
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 343.081304526 u
Formula C17H17N3OS2
InChI InChI=1S/C17H17N3OS2/c1-11(2)7-9-20-16(21)15-14(19-17(20)22-10-8-18)12-5-3-4-6-13(12)23-15/h3-6,11H,7,9-10H2,1-2H3
InChIKey YCSBMWZVDGEWST-UHFFFAOYSA-N
Molecular Weight 343.463 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6640
Solvent DMSO-d6
Source Vendor ID: NMR/12328918