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Cocaethylene
SpectraBase Compound ID B50jxlNM2xp
InChI InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3/t13-,14+,15?,16?/m1/s1
InChIKey NMPOSNRHZIWLLL-QVOMUQBLSA-N
Mol Weight 317.39 g/mol
Molecular Formula C18H23NO4
Exact Mass 317.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9yUGoIMD6G2
Name Cocaethylene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23NO4
InChI InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3/t13-,14+,15?,16?/m1/s1
InChIKey NMPOSNRHZIWLLL-QVOMUQBLSA-N
Molecular Weight 317.385 g/mol
SMILES C1C[C@]2(C(C(C[C@@]1(N2C)[H])OC(=O)c1ccccc1)C(OCC)=O)[H]
SPLASH splash10-001j-9300000000-dffcaa8bf433bb0ea3f4
Source of Spectrum SWG-33-1640-0
Synonyms Ethyl 3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Wiley ID 1809292