Oxitropium

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Systematic / IUPAC Name: 9-Ethyl-7-[(3-hydroxy-2-phenylpropanoyl)oxy]-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane

ID: Reference2468

Other Names: 3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 9-ethyl-7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9-methyl-

Formula: C19H26NO4 +

Class: Therapeutics/Prescription Drugs

Spectral Data

Oxitropium mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 8/6/2015 7:32:19 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C19H26NO4/c1-3-20(2)15-9-13(10-16(20)18-17(15)24-18)23-19(22)14(11-21)12-7-5-4-6-8-12/h4-8,13-18,21H,3,9-11H2,1-2H3/q+1
InChI Key NVOYVOBDTVTBDX-UHFFFAOYSA-N
Canonical SMILES CC[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C
CAS
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Other Names 3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 9-ethyl-7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9-methyl-

In Other Databases

ChemSpider 4466
PubChem 4627
Wikipedia Oxitropium bromide