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benzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 2-[[(2-bromophenyl)methyl]thio]-5,6,7,8-tetrahydro-3-methyl-
SpectraBase Compound ID BykTMHzKeMD
InChI InChI=1S/C18H17BrN2OS2/c1-21-17(22)15-12-7-3-5-9-14(12)24-16(15)20-18(21)23-10-11-6-2-4-8-13(11)19/h2,4,6,8H,3,5,7,9-10H2,1H3
InChIKey QKAIJKZVXXIUBH-UHFFFAOYSA-N
Mol Weight 421.37 g/mol
Molecular Formula C18H17BrN2OS2
Exact Mass 419.996569 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3nTwpBi2v2a
Name benzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 2-[[(2-bromophenyl)methyl]thio]-5,6,7,8-tetrahydro-3-methyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 419.996568522 u
Formula C18H17BrN2OS2
InChI InChI=1S/C18H17BrN2OS2/c1-21-17(22)15-12-7-3-5-9-14(12)24-16(15)20-18(21)23-10-11-6-2-4-8-13(11)19/h2,4,6,8H,3,5,7,9-10H2,1H3
InChIKey QKAIJKZVXXIUBH-UHFFFAOYSA-N
Molecular Weight 421.371 g/mol
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4600
Solvent DMSO-d6
Source Vendor ID: NMR/9302150; Lab Info: LP; Lab Number: LP-2191368