For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
6-ethyl-4-methyl-2-oxo-2H-chromen-7-yl 6-{[(4-methylphenyl)sulfonyl]amino}hexanoate
SpectraBase Compound ID FGDQ1wYRRxT
InChI InChI=1S/C25H29NO6S/c1-4-19-15-21-18(3)14-25(28)32-23(21)16-22(19)31-24(27)8-6-5-7-13-26-33(29,30)20-11-9-17(2)10-12-20/h9-12,14-16,26H,4-8,13H2,1-3H3
InChIKey ORQFFYAQRNSDIF-UHFFFAOYSA-N
Mol Weight 471.57 g/mol
Molecular Formula C25H29NO6S
Exact Mass 471.171559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Kx3IRr6kXFG
Name 6-Ethyl-4-methyl-2-oxo-2H-chromen-7-yl 6-{[(4-methylphenyl)sulfonyl]amino}hexanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 471.171558826 u
Formula C25H29NO6S
InChI InChI=1S/C25H29NO6S/c1-4-19-15-21-18(3)14-25(28)32-23(21)16-22(19)31-24(27)8-6-5-7-13-26-33(29,30)20-11-9-17(2)10-12-20/h9-12,14-16,26H,4-8,13H2,1-3H3
InChIKey ORQFFYAQRNSDIF-UHFFFAOYSA-N
Molecular Weight 471.568 g/mol
SMILES N(S(C1=CC=C(C=C1)C)(=O)=O)CCCCCC(OC1=CC=2OC(=O)C=C(C2C=C1CC)C)=O