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Clinidipine

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

Clinidipine
SpectraBase Compound ID HfeKxWo2Coc
InChI InChI=1S/C27H28N2O7/c1-18-23(26(30)35-14-8-11-20-9-5-4-6-10-20)25(21-12-7-13-22(17-21)29(32)33)24(19(2)28-18)27(31)36-16-15-34-3/h4-13,17,25,28H,14-16H2,1-3H3/b11-8+
InChIKey KJEBULYHNRNJTE-DHZHZOJOSA-N
Mol Weight 492.53 g/mol
Molecular Formula C27H28N2O7
Exact Mass 492.189651 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 53BlOis4RlD
Name Clinidipine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 492.189651243 u
Formula C27H28N2O7
InChI InChI=1S/C27H28N2O7/c1-18-23(26(30)35-14-8-11-20-9-5-4-6-10-20)25(21-12-7-13-22(17-21)29(32)33)24(19(2)28-18)27(31)36-16-15-34-3/h4-13,17,25,28H,14-16H2,1-3H3/b11-8+
InChIKey KJEBULYHNRNJTE-DHZHZOJOSA-N
Molecular Weight 492.528 g/mol
SMILES N1C(=C(C(C2=CC(=CC=C2)N(=O)=O)C(=C1C)C(OC\C=C\C=1C=CC=CC1)=O)C(OCCOC)=O)C