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cis-Cinnamoylcocaine
SpectraBase Compound ID 16DlpCxVTgg
InChI InChI=1S/C19H23NO4/c1-20-14-9-10-15(20)18(19(22)23-2)16(12-14)24-17(21)11-8-13-6-4-3-5-7-13/h3-8,11,14-16,18H,9-10,12H2,1-2H3/b11-8-/t14-,15+,16?,18?/m1/s1
InChIKey MQIXMJWNEKUAOZ-NIFRUAMYSA-N
Mol Weight 329.4 g/mol
Molecular Formula C19H23NO4
Exact Mass 329.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8rQ2NnAYWFo
Name cis-Cinnamoylcocaine
CAS Registry Number 521-67-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23NO4
InChI InChI=1S/C19H23NO4/c1-20-14-9-10-15(20)18(19(22)23-2)16(12-14)24-17(21)11-8-13-6-4-3-5-7-13/h3-8,11,14-16,18H,9-10,12H2,1-2H3/b11-8-/t14-,15+,16?,18?/m1/s1
InChIKey MQIXMJWNEKUAOZ-NIFRUAMYSA-N
Molecular Weight 329.396 g/mol
SMILES COC(=O)C1C(C[C@]2(CC[C@@]1(N2C)[H])[H])OC(=O)\C=C/c1ccccc1
SPLASH splash10-001i-9100000000-4fe50b5f60c4647da685
Source of Spectrum XD-253-0-0
Synonyms 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 8-methyl-3-((1-oxo-3-phenyl-2-propenyl)oxy)-, methyl ester, (1R-(exo,exo))- 8-Methyl-3-[(Z)-1-oxo-3-phenylprop-2-enoxy]-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester 8-Methyl-3-[(Z)-3-phenylacryloyl]oxy-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Methyl 8-methyl-3-([(2Z)-3-phenyl-2-propenoyl]oxy)-8-azabicyclo[3.2.1]octane-2-carboxylate Cinnamoylcocaine Methyl 8-methyl-3-[(Z)-3-phenylprop-2-enoyl]oxy-8-azabicyclo[3.2.1]octane-4-carboxylate
Wiley ID 1327146