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Cocaine propyl ester

View entire compound with spectra: 1 MS (GC)

Cocaine propyl ester
SpectraBase Compound ID 9vVERhJ2esJ
InChI InChI=1S/C19H25NO4/c1-3-11-23-19(22)17-15-10-9-14(20(15)2)12-16(17)24-18(21)13-7-5-4-6-8-13/h4-8,14-17H,3,9-12H2,1-2H3/t14-,15+,16?,17?/m1/s1
InChIKey VNLZTPINKMHMPX-XNIRIUNOSA-N
Mol Weight 331.41 g/mol
Molecular Formula C19H25NO4
Exact Mass 331.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 63Ls4M8haXP
Name Cocaine propyl ester
Alternate Name(s) 3-Benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid propyl ester 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, propyl ester, (1R,2R,3S,5S)- 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, propyl ester, [1R-(exo,exo)]- Benzoylecgonine propyl ester Propyl 3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate Cocapropylene Propyl 3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Propyl 8-methyl-3-(phenylcarbonyloxy)-8-azabicyclo[3.2.1]octane-4-carboxylate Propylbenzoylecgonine
CAS Registry Number 64091-46-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25NO4
InChI InChI=1S/C19H25NO4/c1-3-11-23-19(22)17-15-10-9-14(20(15)2)12-16(17)24-18(21)13-7-5-4-6-8-13/h4-8,14-17H,3,9-12H2,1-2H3/t14-,15+,16?,17?/m1/s1
InChIKey VNLZTPINKMHMPX-XNIRIUNOSA-N
Molecular Weight 331.412 g/mol
SMILES c1ccc(cc1)C(=O)OC1C[C@]2(CC[C@@](C1C(=O)OCCC)(N2C)[H])[H]
SPLASH splash10-001i-9131000000-91026c5d06f95860bd36
Source of Spectrum CJ-1992-0-0
Wiley ID 1328756