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cis-Cinnamoylcocaine

View entire compound with spectra: 3 MS (GC)

cis-Cinnamoylcocaine
SpectraBase Compound ID F7dVZV0IRii
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+/m0/s1
InChIKey MQIXMJWNEKUAOZ-ZFYRMRLISA-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 6z1fiXz9Qbq
Name cis-Cinnamoylcocaine
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+/m0/s1
InChIKey MQIXMJWNEKUAOZ-ZFYRMRLISA-N
Molecular Weight 329.396 g/mol
SMILES [C@]12([C@]([C@](C[C@](CC2)(N1C)[H])(OC(\C=C/c1ccccc1)=O)[H])(C(=O)OC)[H])[H]
SPLASH splash10-001i-9400000000-58beba74cdf689656c9c
Source of Spectrum SWG-33-2454-0
Synonyms Methyl 8-methyl-3-([(2Z)-3-phenyl-2-propenoyl]oxy)-8-azabicyclo[3.2.1]octane-2-carboxylate Methyl (1R,2R,3S,5S)-8-methyl-3-(((Z)-3-phenylacryloyl)oxy)-8-azabicyclo[3.2.1]octane-2-carboxylate
Wiley ID 1809703