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Isopropyl 2-({4-[(diethylamino)sulfonyl]benzoyl}oxy)benzoate

View entire compound with spectra: 2 NMR

Isopropyl 2-({4-[(diethylamino)sulfonyl]benzoyl}oxy)benzoate
SpectraBase Compound ID BUZpKSITkBv
InChI InChI=1S/C21H25NO6S/c1-5-22(6-2)29(25,26)17-13-11-16(12-14-17)20(23)28-19-10-8-7-9-18(19)21(24)27-15(3)4/h7-15H,5-6H2,1-4H3
InChIKey YPWGCRHVKHTXIG-UHFFFAOYSA-N
Mol Weight 419.49 g/mol
Molecular Formula C21H25NO6S
Exact Mass 419.140259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HvLENKInh0t
Name Isopropyl 2-({4-[(diethylamino)sulfonyl]benzoyl}oxy)benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 419.140258697 u
Formula C21H25NO6S
InChI InChI=1S/C21H25NO6S/c1-5-22(6-2)29(25,26)17-13-11-16(12-14-17)20(23)28-19-10-8-7-9-18(19)21(24)27-15(3)4/h7-15H,5-6H2,1-4H3
InChIKey YPWGCRHVKHTXIG-UHFFFAOYSA-N
Molecular Weight 419.492 g/mol
SMILES C1=CC=C(C(OC(C)C)=O)C(OC(C=2C=CC(S(N(CC)CC)(=O)=O)=CC2)=O)=C1