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Phyllalbine
SpectraBase Compound ID 9inDl96hgak
InChI InChI=1S/C16H21NO4/c1-17-11-4-5-12(17)9-13(8-11)21-16(19)10-3-6-14(18)15(7-10)20-2/h3,6-7,11-13,18H,4-5,8-9H2,1-2H3/t11-,12+,13?
InChIKey OZKTVDIYALBSMA-FUNVUKJBSA-N
Mol Weight 291.35 g/mol
Molecular Formula C16H21NO4
Exact Mass 291.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3jf4nXLaW1S
Name Phyllalbine
CAS Registry Number 4540-25-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO4
InChI InChI=1S/C16H21NO4/c1-17-11-4-5-12(17)9-13(8-11)21-16(19)10-3-6-14(18)15(7-10)20-2/h3,6-7,11-13,18H,4-5,8-9H2,1-2H3/t11-,12+,13?
InChIKey OZKTVDIYALBSMA-FUNVUKJBSA-N
Molecular Weight 291.347 g/mol
SMILES Oc1ccc(cc1OC)C(=O)OC1C[C@]2(CC[C@@](C1)(N2C)[H])[H]
SPLASH splash10-00e9-7900000000-aeb8c1d0ff846ccfe9dc
Source of Spectrum AC-63-2790-4
Synonyms (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-methoxy-4-oxidanyl-benzoate (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-hydroxy-3-methoxy-benzoate 4-Hydroxy-3-methoxy-benzoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester 4-Hydroxy-3-methoxybenzoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester
Wiley ID 1294549