Norbenzoylecgonine

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Systematic / IUPAC Name: (1R,2R,3S,5S)-3-(Benzoyloxy)-8-azabicyclo[3.2.1]octane-2-carboxylic acid

ID: Reference1495

Other Names: Benzoylnorecgonine;
8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy), [1R-(exo,exo)]-;
O-Benzoylnorecgonine;
3-(Benzoyloxy)-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid;
8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy), (1R,2R,3S,5S)-

Formula: C15H17NO4

Class: Drugs of Abuse/Illegal Drugs

Spectral Data

Norbenzoylecgonine 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 Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 118
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/17/2015 12:37:17 PM
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Identificators

InChI InChI=1S/C15H17NO4/c17-14(18)13-11-7-6-10(16-11)8-12(13)20-15(19)9-4-2-1-3-5-9/h1-5,10-13,16H,6-8H2,(H,17,18)/t10-,11+,12-,13+/m0/s1
InChI Key CMYJDRSCSOXYHG-QNWHQSFQSA-N
Canonical SMILES C1CC2C(C(CC1N2)OC(=O)C3=CC=CC=C3)C(=O)O
CAS 41889456
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Other Names Benzoylnorecgonine;
8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy), [1R-(exo,exo)]-;
O-Benzoylnorecgonine;
3-(Benzoyloxy)-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid;
8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy), (1R,2R,3S,5S)-

In Other Databases

ChemSpider 102710
ChemIDPlus 041889456
PubChem 114718