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Cinnamoylcocaine, 3',4',5'-trimethoxy-
SpectraBase Compound ID 98OZyCRJjrj
InChI InChI=1S/C22H29NO7/c1-23-14-7-8-15(23)20(22(25)29-5)16(12-14)30-19(24)9-6-13-10-17(26-2)21(28-4)18(11-13)27-3/h6,9-11,14-16,20H,7-8,12H2,1-5H3/b9-6-/t14-,15+,16-,20+/m1/s1
InChIKey GZFLUYGBHUUOIN-SJWWHNNZSA-N
Mol Weight 419.47 g/mol
Molecular Formula C22H29NO7
Exact Mass 419.194402 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K0QnFNxwQXk
Name Cinnamoylcocaine, 3',4',5'-trimethoxy-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29NO7
InChI InChI=1S/C22H29NO7/c1-23-14-7-8-15(23)20(22(25)29-5)16(12-14)30-19(24)9-6-13-10-17(26-2)21(28-4)18(11-13)27-3/h6,9-11,14-16,20H,7-8,12H2,1-5H3/b9-6-/t14-,15+,16-,20+/m1/s1
InChIKey GZFLUYGBHUUOIN-SJWWHNNZSA-N
Molecular Weight 419.474 g/mol
SMILES C1C[C@]2([C@](C(=O)OC)([C@@](C[C@@]1(N2C)[H])(OC(\C=C/c1cc(c(c(c1)OC)OC)OC)=O)[H])[H])[H]
SPLASH splash10-001i-9400000000-dc1e465def128299f19e
Source of Spectrum SWG-33-2463-0
Synonyms Methyl (1S,2S,3R,5R)-8-methyl-3-(((Z)-3-(3,4,5-trimethoxyphenyl)acryloyl)oxy)-8-azabicyclo[3.2.1]octane-2-carboxylate
Wiley ID 1809709