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(1R*,2S*,5S*)-2-Carbethoxy-8-oxobicyclo[3.3.1]nonane

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(1R*,2S*,5S*)-2-Carbethoxy-8-oxobicyclo[3.3.1]nonane
SpectraBase Compound ID EWfJ3dXPMH2
InChI InChI=1S/C12H18O3/c1-2-15-12(14)9-5-3-8-4-6-11(13)10(9)7-8/h8-10H,2-7H2,1H3/t8-,9-,10+/m0/s1
InChIKey DZGGHADMMPGBJL-LPEHRKFASA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2aRJlkBCxLp
Name (1R*,2S*,5S*)-2-Carbethoxy-8-oxobicyclo[3.3.1]nonane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 210.125594437 u
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-2-15-12(14)9-5-3-8-4-6-11(13)10(9)7-8/h8-10H,2-7H2,1H3/t8-,9-,10+/m0/s1
InChIKey DZGGHADMMPGBJL-LPEHRKFASA-N
Molecular Weight 210.273 g/mol
SMILES [C@]12([C@@](C(=O)OCC)(CC[C@](C2)(CCC1=O)[H])[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.974033