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(+-)-(1'R,2'S,5R,6R)Ethyl-6-iodo-3'-oxobicyclo[3.3.0]oct-2'-yl acetate
SpectraBase Compound ID F63Xh2lwaKV
InChI InChI=1S/C12H17IO3/c1-2-16-12(15)6-9-7-3-4-10(13)8(7)5-11(9)14/h7-10H,2-6H2,1H3
InChIKey XHUKQHOEAHOBMV-UHFFFAOYSA-N
Mol Weight 336.17 g/mol
Molecular Formula C12H17IO3
Exact Mass 336.022239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cx6gS5L3aYS
Name (+-)-(1'R,2'S,5R,6R)Ethyl-6-iodo-3'-oxobicyclo[3.3.0]oct-2'-yl acetate
Alternate Name(s) Ethyl (4-iodo-2-oxooctahydro-1-pentalenyl)acetate
CAS Registry Number 128948-29-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17IO3
InChI InChI=1S/C12H17IO3/c1-2-16-12(15)6-9-7-3-4-10(13)8(7)5-11(9)14/h7-10H,2-6H2,1H3
InChIKey XHUKQHOEAHOBMV-UHFFFAOYSA-N
Molecular Weight 336.169 g/mol
SMILES C12C(C(=O)CC2C(I)CC1)CC(=O)OCC
SPLASH splash10-03ki-0920000000-0416ca26c5929763e718
Source of Spectrum F-46-414-4
Wiley ID 1332005