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2-{[3-(3-isopropoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(4-methylbenzyl)acetamide
SpectraBase Compound ID IXICM4t5Emx
InChI InChI=1S/C26H29N3O3S2/c1-17(2)32-14-6-13-29-25(31)24-23(20-7-4-5-8-21(20)34-24)28-26(29)33-16-22(30)27-15-19-11-9-18(3)10-12-19/h4-5,7-12,17H,6,13-16H2,1-3H3,(H,27,30)
InChIKey SBFXMWIJTYMGMA-UHFFFAOYSA-N
Mol Weight 495.66 g/mol
Molecular Formula C26H29N3O3S2
Exact Mass 495.165034 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HP2FBvCb6wi
Name 2-{[3-(3-isopropoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(4-methylbenzyl)acetamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 495.165034151 u
Formula C26H29N3O3S2
InChI InChI=1S/C26H29N3O3S2/c1-17(2)32-14-6-13-29-25(31)24-23(20-7-4-5-8-21(20)34-24)28-26(29)33-16-22(30)27-15-19-11-9-18(3)10-12-19/h4-5,7-12,17H,6,13-16H2,1-3H3,(H,27,30)
InChIKey SBFXMWIJTYMGMA-UHFFFAOYSA-N
Molecular Weight 495.656 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6240
Solvent DMSO-d6
Source Vendor ID: NMR/12328328