N-Butylscopolamine

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

ID: Reference2419

Other Names:

Formula: C21H30NO4 +

Class: Therapeutics/Prescription Drugs Sports Doping Drugs

Spectral Data

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

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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 3/16/2016 12:02:21 PM
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Identificators

InChI InChI=1S/C21H30NO4/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14/h5-9,15-20,23H,3-4,10-13H2,1-2H3/q+1
InChI Key YBCNXCRZPWQOBR-UHFFFAOYSA-N
Canonical SMILES CCCC[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C
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Other Names

In Other Databases

ChemSpider 3510
ChEMBL CHEMBL1178342
PubChem 3636