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Propantheline bromide

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

Propantheline bromide
SpectraBase Compound ID A6K8YNbnOE5
InChI InChI=1S/C22H27NO3.CH3Br/c1-15(2)23(16(3)4)13-14-25-22(24)21-17-9-5-7-11-19(17)26-20-12-8-6-10-18(20)21;1-2/h5-12,15-16,21H,13-14H2,1-4H3;1H3
InChIKey WWGGIVCIZMJOGR-UHFFFAOYSA-N
Mol Weight 448.401 g/mol
Molecular Formula C23H30BrNO3
Exact Mass 447.140907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2HiV1jLvxAA
Name Propantheline bromide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 447.140906827 u
Formula C23H30BrNO3
InChI InChI=1S/C22H27NO3.CH3Br/c1-15(2)23(16(3)4)13-14-25-22(24)21-17-9-5-7-11-19(17)26-20-12-8-6-10-18(20)21;1-2/h5-12,15-16,21H,13-14H2,1-4H3;1H3
InChIKey WWGGIVCIZMJOGR-UHFFFAOYSA-N
Molecular Weight 448.401 g/mol
SMILES C(OC(C1C2=CC=CC=C2OC=2C1=CC=CC2)=O)CN(C(C)C)C(C)C.CBr