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Carbamic acid, N-methyl-N-[2-[[[2-(tetradecyloxy)phenyl]amino]sulfonyl]ethyl]-, phenylmethyl ester
SpectraBase Compound ID HFpAATP5GRH
InChI InChI=1S/C31H48N2O5S/c1-3-4-5-6-7-8-9-10-11-12-13-19-25-37-30-23-18-17-22-29(30)32-39(35,36)26-24-33(2)31(34)38-27-28-20-15-14-16-21-28/h14-18,20-23,32H,3-13,19,24-27H2,1-2H3
InChIKey BPAMLVZBOJKIJO-UHFFFAOYSA-N
Mol Weight 560.8 g/mol
Molecular Formula C31H48N2O5S
Exact Mass 560.328394 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G3VGkK9hotw
Name Carbamic acid, N-methyl-N-[2-[[[2-(tetradecyloxy)phenyl]amino]sulfonyl]ethyl]-, phenylmethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 560.328393823 u
Formula C31H48N2O5S
InChI InChI=1S/C31H48N2O5S/c1-3-4-5-6-7-8-9-10-11-12-13-19-25-37-30-23-18-17-22-29(30)32-39(35,36)26-24-33(2)31(34)38-27-28-20-15-14-16-21-28/h14-18,20-23,32H,3-13,19,24-27H2,1-2H3
InChIKey BPAMLVZBOJKIJO-UHFFFAOYSA-N
Molecular Weight 560.794 g/mol
SMILES CCCCCCCCCCCCCCOC1=CC=CC=C1NS(=O)(=O)CCN(C)C(=O)OCC1=CC=CC=C1