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 |