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(+/-)-(1'R*,2'R*,6'S*,7'S*)-ETHYL-2'-IODO-8'-OXOBICYCLO-[4.3.0]-NON-7'-YL-ACETATE
SpectraBase Compound ID LLKQN6zTWKE
InChI InChI=1S/C13H19IO3/c1-2-17-13(16)7-10-8-4-3-5-11(14)9(8)6-12(10)15/h8-11H,2-7H2,1H3/t8-,9-,10+,11-/m1/s1
InChIKey DCFWLEIXLDLMNG-CHWFTXMASA-N
Mol Weight 350.2 g/mol
Molecular Formula C13H19IO3
Exact Mass 350.037889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DNnFXyfbR9d
Name 1H-Indene-1-acetic acid, octahydro-4-iodo-2-oxo-, ethyl ester, (1.alpha.,3a.alpha.,4.alpha.,7a.alpha.)-(.+-.)-
Alternate Name(s) (+-)-(1R,2R,6S,7S)ethyl-2'-iodo-8'-oxobicyclo[4.3.0]non-7'-yl acetate Ethyl[(1S,3aR,4R,7aS)-4-iodo-2-oxooctahydro-1H-inden-1-yl]acetate
CAS Registry Number 128890-79-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19IO3
InChI InChI=1S/C13H19IO3/c1-2-17-13(16)7-10-8-4-3-5-11(14)9(8)6-12(10)15/h8-11H,2-7H2,1H3/t8-,9-,10+,11-/m1/s1
InChIKey DCFWLEIXLDLMNG-CHWFTXMASA-N
Molecular Weight 350.196 g/mol
SMILES [C@@]1(C(C[C@@]2([C@]1(CCC[C@]2(I)[H])[H])[H])=O)(CC(=O)OCC)[H]
SPLASH splash10-004i-0900000000-64f833e864ce5d1a1ded
Source of Spectrum F-46-416-15
Wiley ID 1341628