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3-Beta-benzoyloxy-2-beta-tropanecarboxylic acid, methyl ester, hydrochloride
SpectraBase Compound ID JYytJGQIvIY
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
InChIKey PIQVDUKEQYOJNR-UHFFFAOYSA-N
Mol Weight 339.82 g/mol
Molecular Formula C17H22ClNO4
Exact Mass 339.123736 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID IeA3dLlWGwv
Name 3-Beta-benzoyloxy-2-beta-tropanecarboxylic acid, methyl ester, hydrochloride
Source of Sample Pharmaceutical Institute, University of Bern
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H22ClNO4
Hummel Decimal Number 1842171621
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
InChIKey PIQVDUKEQYOJNR-UHFFFAOYSA-N
Optical Properties Index of Refraction= 1.651
Sample Description Colorless solid
Synonyms Cocaine hydrochloride
Technique KBr pellet