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1-caebethoxy-7-ketoisoquinuclidene
SpectraBase Compound ID CpZViRkfT4P
InChI InChI=1S/C10H13NO3/c1-2-14-10(13)11-6-7-3-4-8(11)9(12)5-7/h3-4,7-8H,2,5-6H2,1H3/t7-,8-/m0/s1
InChIKey FAZCWVNCFAHVQF-YUMQZZPRSA-N
Mol Weight 195.22 g/mol
Molecular Formula C10H13NO3
Exact Mass 195.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AarHq0NKITE
Name 1-caebethoxy-7-ketoisoquinuclidene
CAS Registry Number 120230-18-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13NO3
InChI InChI=1S/C10H13NO3/c1-2-14-10(13)11-6-7-3-4-8(11)9(12)5-7/h3-4,7-8H,2,5-6H2,1H3/t7-,8-/m0/s1
InChIKey FAZCWVNCFAHVQF-YUMQZZPRSA-N
Molecular Weight 195.218 g/mol
SMILES [C@@]12(N(C[C@](CC2=O)(C=C1)[H])C(=O)OCC)[H]
SPLASH splash10-0a4l-2900000000-f0f09406122732a58a17
Source of Spectrum J-54-2900-33
Synonyms Ethyl (1S,4R)-7-oxo-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylate
Wiley ID 1191995