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2-[(2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

View entire compound with spectra: 2 NMR

2-[(2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID HJZFD9ONxIN
InChI InChI=1S/C18H18N2OS2/c21-16-15-13-8-4-5-9-14(13)23-17(15)20-18(19-16)22-11-10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,19,20,21)
InChIKey JAOVQGUOQCWMNP-UHFFFAOYSA-N
Mol Weight 342.48 g/mol
Molecular Formula C18H18N2OS2
Exact Mass 342.086056 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8TdAc2xzNDe
Name 2-[(2-Phenylethyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-D]pyrimidin-4(3H)-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.086055555 u
Formula C18H18N2OS2
InChI InChI=1S/C18H18N2OS2/c21-16-15-13-8-4-5-9-14(13)23-17(15)20-18(19-16)22-11-10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,19,20,21)
InChIKey JAOVQGUOQCWMNP-UHFFFAOYSA-N
Molecular Weight 342.475 g/mol
SMILES N1C(C2=C(N=C1SCCC=1C=CC=CC1)SC=1CCCCC21)=O