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(2R*,3S*)-3-Iodo-2-methyl-4-oxocene
SpectraBase Compound ID GBSTrnNwcnD
InChI InChI=1S/C8H13IO/c1-7-8(9)5-3-2-4-6-10-7/h2-3,7-8H,4-6H2,1H3/b3-2-/t7-,8+/m1/s1
InChIKey YHELRLGTACCKNJ-ZCMHJKFASA-N
Mol Weight 252.1 g/mol
Molecular Formula C8H13IO
Exact Mass 252.00111 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3iIdaD2XdcH
Name (2R*,3S*)-3-Iodo-2-methyl-4-oxocene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13IO
InChI InChI=1S/C8H13IO/c1-7-8(9)5-3-2-4-6-10-7/h2-3,7-8H,4-6H2,1H3/b3-2-/t7-,8+/m1/s1
InChIKey YHELRLGTACCKNJ-ZCMHJKFASA-N
Molecular Weight 252.095 g/mol
SMILES [C@]1(OCC\C=C/C[C@@]1(I)[H])(C)[H]
SPLASH splash10-014i-9200000000-8c73e6d3f450228f4bc6
Source of Spectrum J-61-5799-13
Synonyms (2R,3S)-3-iodo-2-methyl-3,4,7,8-tetrahydro-2H-oxocin
Wiley ID 1254942