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2-Benzyl-6-carbomrthoxy-7-acetyl-7-hydroxyisoquinuclidene
SpectraBase Compound ID 1jHJGbgxAep
InChI InChI=1S/C18H21NO4/c1-12(20)18(22)11-14-8-9-17(18,16(21)23-2)19-15(14)10-13-6-4-3-5-7-13/h3-9,14-15,19,22H,10-11H2,1-2H3/t14-,15-,17-,18+/m0/s1
InChIKey XVZWAIYDDBURRV-UHFFFAOYSA-N
Mol Weight 315.37 g/mol
Molecular Formula C18H21NO4
Exact Mass 315.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ki7oyQN3Ve
Name 2-Benzyl-6-carbomrthoxy-7-acetyl-7-hydroxyisoquinuclidene
CAS Registry Number 120328-44-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21NO4
InChI InChI=1S/C18H21NO4/c1-12(20)18(22)11-14-8-9-17(18,16(21)23-2)19-15(14)10-13-6-4-3-5-7-13/h3-9,14-15,19,22H,10-11H2,1-2H3/t14-,15-,17-,18+/m0/s1
InChIKey XVZWAIYDDBURRV-UHFFFAOYSA-N
Molecular Weight 315.369 g/mol
SMILES N1[C@]([C@]2(C=C[C@@]1([C@@](C2)(C(=O)C)O)C(=O)OC)[H])(Cc1ccccc1)[H]
SPLASH splash10-0006-9040000000-1e9b98f411bccfdd393e
Source of Spectrum J-54-2900-24
Synonyms Methyl 7-acetyl-3-benzyl-7-hydroxy-2-azabicyclo[2.2.2]oct-5-ene-1-carboxylate
Wiley ID 1316034