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(1R*,2S*,5S*,9R*)-2-Carbethoxy-9-formylbicyclo[3.3.1]non-7-ene
SpectraBase Compound ID IxdrL731w6e
InChI InChI=1S/C13H18O3/c1-2-16-13(15)11-7-6-9-4-3-5-10(11)12(9)8-14/h3,5,8-12H,2,4,6-7H2,1H3/t9-,10+,11+,12-/m1/s1
InChIKey CHKITDMJOPDTLZ-NOOOWODRSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7WMAPieVqr0
Name (1R*,2S*,5S*,9R*)-2-Carbethoxy-9-formylbicyclo[3.3.1]non-7-ene
Alternate Name(s) Ethyl (1R,2S,5S,9R)-9-formylbicyclo[3.3.1]non-7-ene-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-2-16-13(15)11-7-6-9-4-3-5-10(11)12(9)8-14/h3,5,8-12H,2,4,6-7H2,1H3/t9-,10+,11+,12-/m1/s1
InChIKey CHKITDMJOPDTLZ-NOOOWODRSA-N
Molecular Weight 222.284 g/mol
SMILES [C@]12([C@@](C(=O)OCC)(CC[C@@]([C@]2(C=O)[H])([H])CC=C1)[H])[H]
SPLASH splash10-004l-9520000000-867fdd5c2d25c810d8a0
Source of Spectrum C-115-5949-8
Wiley ID 1222661