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2-Iodo-4-oxa-tricyclo[4.2.1.0(3,7)]nonan-5-one
SpectraBase Compound ID LA4st92ma0k
InChI InChI=1S/C8H9IO2/c9-6-3-1-4-5(2-3)8(10)11-7(4)6/h3-7H,1-2H2/t3-,4+,5-,6-,7-/m0/s1
InChIKey HDHTTWLQAIUNEA-REQIZBSHSA-N
Mol Weight 264.06 g/mol
Molecular Formula C8H9IO2
Exact Mass 263.964725 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F7lvIZQZVWi
Name 2-Iodo-4-oxa-tricyclo[4.2.1.0(3,7)]nonan-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9IO2
InChI InChI=1S/C8H9IO2/c9-6-3-1-4-5(2-3)8(10)11-7(4)6/h3-7H,1-2H2/t3-,4+,5-,6-,7-/m0/s1
InChIKey HDHTTWLQAIUNEA-REQIZBSHSA-N
Instrument Name Agilent 6890N-5973N
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.4.29
Molecular Weight 264.062 g/mol
SMILES [C@@]12([C@]([C@@]3(C[C@@]([C@]2(C3)[H])(C(O1)=O)[H])[H])(I)[H])[H]
SPLASH splash10-002f-9100000000-5b998176deb4e5d5110b
Sample Comments 5:1 mixture of endo and exo isomers
Source of Spectrum BJO-4-SM10-13
Wiley ID 1873158