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Methscopolamine bromide

View entire compound with spectra: 1 MS (GC)

Methscopolamine bromide
SpectraBase Compound ID 2wn1yM2lZ7C
InChI InChI=1S/C18H24NO4.BrH/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11;/h3-7,12-17,20H,8-10H2,1-2H3;1H/q+1;/p-1/t12?,13-,14-,15+,16-,17+;/m1./s1
InChIKey CXYRUNPLKGGUJF-OZVSTBQFSA-M
Mol Weight 398.3 g/mol
Molecular Formula C18H24BrNO4
Exact Mass 397.088871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 49d2caFSFiM
Name Methscopolamine bromide
CAS Registry Number 155-41-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24BrNO4
InChI InChI=1S/C18H24NO4.BrH/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11;/h3-7,12-17,20H,8-10H2,1-2H3;1H/q+1;/p-1/t12?,13-,14-,15+,16-,17+;/m1./s1
InChIKey CXYRUNPLKGGUJF-OZVSTBQFSA-M
Molecular Weight 398.297 g/mol
SMILES [Br-].OC[C@@](C(OC1C[C@]2([N+](C)(C)[C@]([C@]3([C@@]2(O3)[H])[H])(C1)[H])[H])=O)(c1ccccc1)[H]
SPLASH splash10-0006-9400000000-649fd7c42db746e22c66
Source of Spectrum JZ-1992-282-0
Synonyms 6.beta.,7.beta.-Epoxy-8-methyl-3.alpha.-(-)-tropoyloxy-1.alpha.H,5.alpha.H-tromanium bromide scopolamine methyl bromide Epoxytropine tropate methylbromide
Wiley ID 1367882