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Mycophenolate mofetil

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Mycophenolate mofetil
SpectraBase Compound ID 85DzJRybPTx
InChI InChI=1S/C23H31NO7/c1-15(5-7-19(25)30-13-10-24-8-11-29-12-9-24)4-6-17-21(26)20-18(14-31-23(20)27)16(2)22(17)28-3/h4,26H,5-14H2,1-3H3/b15-4+
InChIKey RTGDFNSFWBGLEC-SYZQJQIISA-N
Mol Weight 433.5 g/mol
Molecular Formula C23H31NO7
Exact Mass 433.210052 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 77GQYJEG9Ju
Name Mycophenolate mofetil
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 433.210052335 u
Formula C23H31NO7
InChI InChI=1S/C23H31NO7/c1-15(5-7-19(25)30-13-10-24-8-11-29-12-9-24)4-6-17-21(26)20-18(14-31-23(20)27)16(2)22(17)28-3/h4,26H,5-14H2,1-3H3/b15-4+
InChIKey RTGDFNSFWBGLEC-SYZQJQIISA-N
Molecular Weight 433.501 g/mol
SMILES C1=2C(=C(C(=C(C2O)C\C=C\(CCC(OCCN2CCOCC2)=O)C)OC)C)COC1=O