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Diltiazem-m (o-desmethyl,desamino oh) ac

View entire compound with spectra: 1 NMR, 1 FTIR, and 3 MS (GC)

Diltiazem-m (o-desmethyl,desamino oh) ac
SpectraBase Compound ID 5CpInyurkLk
InChI InChI=1S/C23H23NO7S/c1-14(25)29-13-12-24-19-6-4-5-7-20(19)32-22(21(23(24)28)31-16(3)27)17-8-10-18(11-9-17)30-15(2)26/h4-11,21-22H,12-13H2,1-3H3
InChIKey BZRJHJFJQUZPGT-UHFFFAOYSA-N
Mol Weight 457.5 g/mol
Molecular Formula C23H23NO7S
Exact Mass 457.119523 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9fOQUuHelr2
Name Diltiazem-m (o-desmethyl,desamino oh) ac
Comments Computed using HOSE algorithm
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Exact Mass 457.119523252 u
Formula C23H23NO7S
InChI InChI=1S/C23H23NO7S/c1-14(25)29-13-12-24-19-6-4-5-7-20(19)32-22(21(23(24)28)31-16(3)27)17-8-10-18(11-9-17)30-15(2)26/h4-11,21-22H,12-13H2,1-3H3
InChIKey BZRJHJFJQUZPGT-UHFFFAOYSA-N
Molecular Weight 457.497 g/mol
SMILES C1(C(C(N(C=2C(S1)=CC=CC2)CCOC(=O)C)=O)OC(=O)C)C=1C=CC(=CC1)OC(=O)C