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Propylbenzoylecgonine
SpectraBase Compound ID KiKCnE3uJ1E
InChI InChI=1S/C19H25NO4/c1-3-11-23-19(22)17-15-10-9-14(20(15)2)12-16(17)24-18(21)13-7-5-4-6-8-13/h4-8,14-17H,3,9-12H2,1-2H3/t14-,15+,16-,17+/m0/s1
InChIKey VNLZTPINKMHMPX-VVLHAWIVSA-N
Mol Weight 331.41 g/mol
Molecular Formula C19H25NO4
Exact Mass 331.178358 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID KiQ9w2GiNwb
Name Propylbenzoylecgonine
Source of Sample Alltech Associates, Inc., Grace Davison Discovery Sciences
Catalog Number 01473
Lot Number 07108
Apodization Function Triangular
CAS Registry Number 64091-46-9
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved.
DEA Schedule II
Formula C19H25NO4
InChI InChI=1S/C19H25NO4/c1-3-11-23-19(22)17-15-10-9-14(20(15)2)12-16(17)24-18(21)13-7-5-4-6-8-13/h4-8,14-17H,3,9-12H2,1-2H3/t14-,15+,16-,17+/m0/s1
InChIKey VNLZTPINKMHMPX-VVLHAWIVSA-N
Instrument Name Bio-Rad FTS
SMILES C1[C@@]2([C@]([C@](C[C@](C1)(N2C)[H])(OC(=O)c1ccccc1)[H])(C(OCCC)=O)[H])[H]
Scan Speed (number) 5
Source of Spectrum Forensic Spectral Research
Technique KBr0