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3-[{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]-4-hydroxy-2H-chromen-2-one

View entire compound with spectra: 2 NMR

3-[{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]-4-hydroxy-2H-chromen-2-one
SpectraBase Compound ID HKg9e7PRype
InChI InChI=1S/C34H23NO7S2/c1-40-23-15-14-18(16-19(23)17-43-34-35-22-10-4-7-13-26(22)44-34)27(28-30(36)20-8-2-5-11-24(20)41-32(28)38)29-31(37)21-9-3-6-12-25(21)42-33(29)39/h2-16,27,36-37H,17H2,1H3
InChIKey PRSVAZQVUQPRAE-UHFFFAOYSA-N
Mol Weight 621.7 g/mol
Molecular Formula C34H23NO7S2
Exact Mass 621.091594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 50iiuROmp4p
Name 3-[{3-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]-4-hydroxy-2H-chromen-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 621.091594426 u
Formula C34H23NO7S2
InChI InChI=1S/C34H23NO7S2/c1-40-23-15-14-18(16-19(23)17-43-34-35-22-10-4-7-13-26(22)44-34)27(28-30(36)20-8-2-5-11-24(20)41-32(28)38)29-31(37)21-9-3-6-12-25(21)42-33(29)39/h2-16,27,36-37H,17H2,1H3
InChIKey PRSVAZQVUQPRAE-UHFFFAOYSA-N
Molecular Weight 621.678 g/mol
SMILES OC1=C(C(C2=C(C=3C=CC=CC3OC2=O)O)C=2C=C(CSC3=NC=4C=CC=CC4S3)C(=CC2)OC)C(OC2=CC=CC=C12)=O