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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 AbXbXZjSFgd
Name Cocaine
Alternate Name(s) 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 Methyl 3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate (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 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, (1R-(exo,exo))- 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)]- Allopseudococaine Allococaine Badrock Bazooka Benzoylethylecgonine Benzoylmethylecgonine Bernice Bernies BLAST Blizzard BLOW Bouncing powder Burese C'' carrie Cabello CANDY CECIL Caviar Cecil Charlie Chicken scratch Cholly COCA Cocain Cocaina Cocaine free base Cocaine, L- COKE 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 GIRL G-ROCK Girl Gold dust Goofball Green gold Happy dust Happy powder Happy trails Heaven HELL Isococain Isococaine Kibbles N' bits KOKAN 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 DEA NO. 9041 EINECS 200-032-7 HSDB 6469
CAS Registry Number 478-73-9
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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-f4033a9c8d8240fb5cef
Source of Spectrum JZ-1992-1143-0
Wiley ID 1305648