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Ipratropium
SpectraBase Compound ID Bb39Akndb9S
InChI InChI=1S/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17-,18?,19?,21-;/m0./s1
InChIKey LHLMOSXCXGLMMN-QLDKIUIHSA-M
Mol Weight 412.37 g/mol
Molecular Formula C20H30BrNO3
Exact Mass 411.140907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dxc6gV5q7So
Name Ipratropium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30BrNO3
InChI InChI=1S/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17-,18?,19?,21-;/m0./s1
InChIKey LHLMOSXCXGLMMN-QLDKIUIHSA-M
Molecular Weight 412.368 g/mol
SMILES [Br-].OCC(C(OC1C[C@]2([N@+]([C@](C1)(CC2)[H])(C(C)C)C)[H])=O)c1ccccc1
SPLASH splash10-0w90-4930000000-06ebba7fa58aa9c24618
Source of Spectrum JZ-1992-2098-0
Synonyms (1S,5S)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane bromide Ipatropium
Wiley ID 1374052