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Cocaine hydrochloride

View entire compound with spectra: 2 NMR, 2 FTIR, and 1 Raman

Cocaine hydrochloride
SpectraBase Compound ID JR2zaBMlUYt
InChI InChI=1S/C17H21NO4.ClH/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;1H/t12-,13+,14-,15+;/m0./s1
InChIKey PIQVDUKEQYOJNR-VZXSFKIWSA-N
Mol Weight 339.82 g/mol
Molecular Formula C17H22ClNO4
Exact Mass 339.123736 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5jIT6iUTRau
Name Cocaine hydrochloride
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H22ClNO4
InChI InChI=1S/C17H21NO4.ClH/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;1H/t12-,13+,14-,15+;/m0./s1
InChIKey PIQVDUKEQYOJNR-VZXSFKIWSA-N
Literature Reference Author J.K.BAKER,R.F.BORNE
Literature Reference Citation J.HETCYCL.CHEM.,15,165(1978)
Literature Reference DOI 10.1002/jhet.5570150137
Solvent D2O
Source File Reference UWED7774