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Lobelanidine, o,o-bis-acetate

View entire compound with spectra: 1 NMR

Lobelanidine, o,o-bis-acetate
SpectraBase Compound ID BNNZuRpFfeB
InChI InChI=1S/C26H33NO4/c1-19(28)30-25(21-11-6-4-7-12-21)17-23-15-10-16-24(27(23)3)18-26(31-20(2)29)22-13-8-5-9-14-22/h4-9,11-14,23-26H,10,15-18H2,1-3H3
InChIKey MPSAFSKBXSIXTI-UHFFFAOYSA-N
Mol Weight 423.6 g/mol
Molecular Formula C26H33NO4
Exact Mass 423.240959 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ayy5029afI4
Name Lobelanidine, o,o-bis-acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 423.240958543 u
Formula C26H33NO4
InChI InChI=1S/C26H33NO4/c1-19(28)30-25(21-11-6-4-7-12-21)17-23-15-10-16-24(27(23)3)18-26(31-20(2)29)22-13-8-5-9-14-22/h4-9,11-14,23-26H,10,15-18H2,1-3H3
InChIKey MPSAFSKBXSIXTI-UHFFFAOYSA-N
Molecular Weight 423.553 g/mol
SMILES C1=CC=CC=C1C(OC(=O)C)CC1CCCC(N1C)CC(C1=CC=CC=C1)OC(=O)C