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Benzamidine, 4-methoxy-N-(2-benzyloxy-2-oxoethyl)-N'-morpholinothiocarbonyl-

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Benzamidine, 4-methoxy-N-(2-benzyloxy-2-oxoethyl)-N'-morpholinothiocarbonyl-
SpectraBase Compound ID K1dgye3ZVVU
InChI InChI=1S/C22H25N3O4S/c1-27-19-9-7-18(8-10-19)21(24-22(30)25-11-13-28-14-12-25)23-15-20(26)29-16-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3,(H,23,24,30)
InChIKey GDMGRSJFTPNPSK-UHFFFAOYSA-N
Mol Weight 427.52 g/mol
Molecular Formula C22H25N3O4S
Exact Mass 427.156577 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6hwZZITEBkK
Name Benzamidine, 4-methoxy-N-(2-benzyloxy-2-oxoethyl)-N'-morpholinothiocarbonyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 427.156577467 u
Formula C22H25N3O4S
InChI InChI=1S/C22H25N3O4S/c1-27-19-9-7-18(8-10-19)21(24-22(30)25-11-13-28-14-12-25)23-15-20(26)29-16-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3,(H,23,24,30)
InChIKey GDMGRSJFTPNPSK-UHFFFAOYSA-N
Molecular Weight 427.519 g/mol
SMILES C1(=CC=C(C=C1)OC)\C(NCC(OCC1=CC=CC=C1)=O)=N/C(=S)N1CCOCC1