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N-benzyl-2-{[6-isopropyl-3-(4-methoxyphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}propanamide
SpectraBase Compound ID FjAHKQb6jU5
InChI InChI=1S/C29H31N3O4S2/c1-17(2)23-14-22-24(16-36-23)38-27-25(22)28(34)32(20-10-12-21(35-4)13-11-20)29(31-27)37-18(3)26(33)30-15-19-8-6-5-7-9-19/h5-13,17-18,23H,14-16H2,1-4H3,(H,30,33)
InChIKey NNCKUDZGGKTVNE-UHFFFAOYSA-N
Mol Weight 549.7 g/mol
Molecular Formula C29H31N3O4S2
Exact Mass 549.175599 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EwOEPUo1sQU
Name N-benzyl-2-{[6-isopropyl-3-(4-methoxyphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}propanamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 549.175598834 u
Formula C29H31N3O4S2
InChI InChI=1S/C29H31N3O4S2/c1-17(2)23-14-22-24(16-36-23)38-27-25(22)28(34)32(20-10-12-21(35-4)13-11-20)29(31-27)37-18(3)26(33)30-15-19-8-6-5-7-9-19/h5-13,17-18,23H,14-16H2,1-4H3,(H,30,33)
InChIKey NNCKUDZGGKTVNE-UHFFFAOYSA-N
Molecular Weight 549.704 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_1997
Solvent DMSO-d6
Source Vendor ID: NMR/12278763