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(1R*,2S*,5S*,9R*)-2-Carbethoxy-9-acetylbicyclo[3.3.1]non-7-ene
SpectraBase Compound ID L1XdzhZUpQG
InChI InChI=1S/C14H20O3/c1-3-17-14(16)12-8-7-10-5-4-6-11(12)13(10)9(2)15/h4,6,10-13H,3,5,7-8H2,1-2H3/t10-,11+,12+,13-/m1/s1
InChIKey IQHFTUHPNDDVIO-MROQNXINSA-N
Mol Weight 236.31 g/mol
Molecular Formula C14H20O3
Exact Mass 236.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3GrpXkYIIsm
Name (1R*,2S*,5S*,9R*)-2-Carbethoxy-9-acetylbicyclo[3.3.1]non-7-ene
Alternate Name(s) Ethyl (1R,2S,5S,9R)-9-acetylbicyclo[3.3.1]non-7-ene-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O3
InChI InChI=1S/C14H20O3/c1-3-17-14(16)12-8-7-10-5-4-6-11(12)13(10)9(2)15/h4,6,10-13H,3,5,7-8H2,1-2H3/t10-,11+,12+,13-/m1/s1
InChIKey IQHFTUHPNDDVIO-MROQNXINSA-N
Molecular Weight 236.311 g/mol
SMILES [C@]12([C@@](C(=O)OCC)(CC[C@@]([C@]2(C(=O)C)[H])([H])CC=C1)[H])[H]
SPLASH splash10-014s-0930000000-78caeaa1121c09a2748e
Source of Spectrum C-115-5950-11
Wiley ID 1238453