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2H-1-benzopyran-2-one, 3-[(4-chlorophenyl)sulfonyl]-6-hexyl-7-hydroxy-
SpectraBase Compound ID ISPnf3D9WJO
InChI InChI=1S/C21H21ClO5S/c1-2-3-4-5-6-14-11-15-12-20(21(24)27-19(15)13-18(14)23)28(25,26)17-9-7-16(22)8-10-17/h7-13,23H,2-6H2,1H3
InChIKey UEPOZDIDRCLCQP-UHFFFAOYSA-N
Mol Weight 420.91 g/mol
Molecular Formula C21H21ClO5S
Exact Mass 420.079823 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 16HoPzPgNJ6
Name 2H-1-benzopyran-2-one, 3-[(4-chlorophenyl)sulfonyl]-6-hexyl-7-hydroxy-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.079822645 u
Formula C21H21ClO5S
InChI InChI=1S/C21H21ClO5S/c1-2-3-4-5-6-14-11-15-12-20(21(24)27-19(15)13-18(14)23)28(25,26)17-9-7-16(22)8-10-17/h7-13,23H,2-6H2,1H3
InChIKey UEPOZDIDRCLCQP-UHFFFAOYSA-N
Molecular Weight 420.907 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_4351
Solvent DMSO-d6
Source Vendor ID: NMR/13279945