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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

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID KdQxKXGokRx
Name Benzoylecgonine
Source of Sample Alltech Associates, Inc., Grace Davison Discovery Sciences
Catalog Number 01538
Lot Number 0607000239
Apodization Function Triangular
CAS Registry Number 519-09-5
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved.
DEA Schedule II
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
Molecular Weight 289.331 g/mol
SMILES OC([C@@]1([C@]2(CC[C@@](C[C@@]1(OC(=O)c1ccccc1)[H])(N2C)[H])[H])[H])=O
Scan Speed (number) 5
Source of Spectrum Forensic Spectral Research
Technique KBr0