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3', 4', 5'-Trimethoxycocaethylene
SpectraBase Compound ID 7iRVrvgR4YT
InChI InChI=1S/C21H29NO7/c1-6-28-21(24)18-14-8-7-13(22(14)2)11-15(18)29-20(23)12-9-16(25-3)19(27-5)17(10-12)26-4/h9-10,13-15,18H,6-8,11H2,1-5H3/t13-,14+,15-,18+/m1/s1
InChIKey AUSJAVSFGGMZCD-FSZRXZPDSA-N
Mol Weight 407.46 g/mol
Molecular Formula C21H29NO7
Exact Mass 407.194402 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2O17abWXiAO
Name 3', 4', 5'-Trimethoxycocaethylene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29NO7
InChI InChI=1S/C21H29NO7/c1-6-28-21(24)18-14-8-7-13(22(14)2)11-15(18)29-20(23)12-9-16(25-3)19(27-5)17(10-12)26-4/h9-10,13-15,18H,6-8,11H2,1-5H3/t13-,14+,15-,18+/m1/s1
InChIKey AUSJAVSFGGMZCD-FSZRXZPDSA-N
Molecular Weight 407.463 g/mol
SMILES C1C[C@]2([C@@]([C@@](C[C@@]1(N2C)[H])(OC(=O)c1cc(c(c(c1)OC)OC)OC)[H])(C(OCC)=O)[H])[H]
SPLASH splash10-001j-9600000000-49901a89f0cf9adc8acb
Source of Spectrum SWG-33-2464-0
Synonyms Ethyl (1S,2S,3R,5R)-8-methyl-3-((3,4,5-trimethoxybenzoyl)oxy)-8-azabicyclo[3.2.1]octane-2-carboxylate
Wiley ID 1809710