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Cocaine

View entire compound with spectra: 19 MS (GC)

Cocaine
SpectraBase Compound ID L2OnLaP9hQe
InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m1/s1
InChIKey ZPUCINDJVBIVPJ-BARDWOONSA-N
Mol Weight 303.36 g/mol
Molecular Formula C17H21NO4
Exact Mass 303.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IGvwA9xU51S
Name Cocaine
CAS Registry Number 50-36-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO4
InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m1/s1
InChIKey ZPUCINDJVBIVPJ-BARDWOONSA-N
Molecular Weight 303.358 g/mol
SMILES [C@@]12([C@@]([C@](OC(=O)c3ccccc3)(C[C@](N1C)(CC2)[H])[H])(C(=O)OC)[H])[H]
SPLASH splash10-001i-9400000000-6a0c71433896c41e6166
Synonyms Methyl 3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, [1R-(exo,exo)]- (-)-Cocaine (1R,2R,3S,5S)-2-Methoxycarbonyltropan-3-yl benzoate (R)-cocaine (R)-pseudococaine 1-.alpha.-H,5-.alpha.-H-Tropane-2-.beta.-carboxylic acid, 3-.beta.-hydroxy-, methyl ester, benzoate 1-Cocaine 1.alpha.H,5.alpha.H-Tropane-2.beta.-carboxylic acid, 3.beta.-hydroxy-, methyl ester, benzoate (ester) 2-.beta.-Tropanecarboxylic acid, 3-.beta.-hydroxy-, methyl ester, benzoate 2-Methyl-3.beta.-hydroxy-1.alpha.H,5.alpha.H-tropane-2.beta.-carboxylate benzoate (ester) 2.beta.-Tropanecarboxylic acid, 3.beta.-hydroxy-, methyl ester, benzoate (ester) 3-(benzoyloxy)-8-methyl-8-azabicyclo-(3.2.1)octane-2-carboxylic acid methyl ether 3-Benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester 3-Tropanylbenzoate-2-carboxylic acid methyl ester 3.beta.-Hydroxy-2.beta.-tropanecarboxylic acid methyl ester, benzoate 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, (1R,2S,3S,5S)- 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, (2R,3S)- 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, [1R-(2-endo,3-exo)]- Allococaine Allopseudococaine Badrock Bazooka Benzoylethylecgonine Benzoylmethylecgonine Bernice Bernies BLAST Blizzard BLOW Bouncing powder Burese C'' carrie Cabello CANDY Caviar Cecil Charlie Chicken scratch Cholly COCA Cocain Cocaina Cocaine free base Cocaine, L- Cocktail Coke COLA Corine D-phi-cocaine D-pseudococaine Dama blanca Delcaine Depsococaine Dextrocaine Ecgonine, methyl ester, benzoate Ecgonine, methyl ester, benzoate (ester) Eritroxilina Erytroxylin FLAKE FLEX Florida snow FOO FOO Freeze G-ROCK Girl Gold dust Goofball Green gold Happy dust Happy powder Happy trails Heaven HELL Isococain Isococaine Kibbles N' bits Kokain Kokan Kokayeen L-Cocain l-Cocaine LADY LEAF LINE Methyl 3-.beta.-hydroxy-1-.alpha.-H,5-.alpha.-H-tropane-2-.beta.-carboxylate benzoate Methyl 3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Methyl 3.beta.-hydroxy-1.alpha.H,5.alpha.H-tropane-2.beta.-carboxylate benzoate (ester) Methyl 8-methyl-3-(phenylcarbonyloxy)-8-azabicyclo[3.2.1]octane-4-carboxylate Methyl benzoylecgonine Moonrocks Neurocaine Nose candy PIMP'S DRUG Prime time Pseudoallococaine Pseudococaine Pseudococaine, (+) ROCK Sleighride SNORT SNOW Snow (birds) Star dust Star-spangled powder Sweet stuff TOKE TOOT Trails White girl or lady YEYO [1R-(2-Endo-3-exo)]-3-(benzolyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester Methyl (3R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Methyl (3R)-8-methyl-3-(phenylcarbonyloxy)-8-azabicyclo[3.2.1]octane-4-carboxylate DEA NO. 9041 EINECS 200-032-7 HSDB 6469
Wiley ID 1509119