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Benzoylecgonine
SpectraBase Compound ID 53EzJTIWydZ
InChI InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1
InChIKey GVGYEFKIHJTNQZ-RFQIPJPRSA-N
Mol Weight 289.33 g/mol
Molecular Formula C16H19NO4
Exact Mass 289.131408 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 8NW5Lb3VMUA
Name Benzoylecgonine
Source of Sample Alltech Associates, Inc., Grace Davison Discovery Sciences
Catalog Number 01538
Lot Number 607000239
Accessory DurasamplIR II
CAS Registry Number 519-09-5
Classification Coca Leaves, Cocaine, and Ecgonine
Code of Federal Regulations 21 CFR Section 1308.12 (b) (4)
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
DEA Controlled Substances Code Number 9180
Formula C16H19NO4
InChI InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1
InChIKey GVGYEFKIHJTNQZ-RFQIPJPRSA-N
Instrument Name Bio-Rad FTS
Source of Spectrum Forensic Spectral Research
Synonyms 3-Benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid
Technique ATR-Neat (DuraSamplIR II)