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2H-1-benzopyran-2-one, 6-hexyl-7-hydroxy-3-[(4-methylphenyl)sulfonyl]-
SpectraBase Compound ID ISgDIpaAT07
InChI InChI=1S/C22H24O5S/c1-3-4-5-6-7-16-12-17-13-21(22(24)27-20(17)14-19(16)23)28(25,26)18-10-8-15(2)9-11-18/h8-14,23H,3-7H2,1-2H3
InChIKey MTDNAJKLNBSOFO-UHFFFAOYSA-N
Mol Weight 400.49 g/mol
Molecular Formula C22H24O5S
Exact Mass 400.134445 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FCVPiHW6SWy
Name 2H-1-benzopyran-2-one, 6-hexyl-7-hydroxy-3-[(4-methylphenyl)sulfonyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.134445042 u
Formula C22H24O5S
InChI InChI=1S/C22H24O5S/c1-3-4-5-6-7-16-12-17-13-21(22(24)27-20(17)14-19(16)23)28(25,26)18-10-8-15(2)9-11-18/h8-14,23H,3-7H2,1-2H3
InChIKey MTDNAJKLNBSOFO-UHFFFAOYSA-N
Molecular Weight 400.489 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_4348
Solvent DMSO-d6
Source Vendor ID: NMR/13279942