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4,6-METHANOCYCLOPENTA[b]PYRAN-2(3H)-ONE, HEXAHYDRO-7-IODO-, (4alpha,4Abeta,6alpha,7beta,7Abeta)-
SpectraBase Compound ID COPtjYURBIG
InChI InChI=1S/C9H11IO2/c10-8-5-1-4-3-7(11)12-9(8)6(4)2-5/h4-6,8-9H,1-3H2/t4-,5-,6-,8?,9-/m1/s1
InChIKey VJOQRIMZIIVVMP-VCDXOKSBSA-N
Mol Weight 278.09 g/mol
Molecular Formula C9H11IO2
Exact Mass 277.980375 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GjrNwfM70er
Name 4,6-METHANOCYCLOPENTA[b]PYRAN-2(3H)-ONE, HEXAHYDRO-7-IODO-, (4alpha,4Abeta,6alpha,7beta,7Abeta)-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H11O2I
InChI InChI=1S/C9H11IO2/c10-8-5-1-4-3-7(11)12-9(8)6(4)2-5/h4-6,8-9H,1-3H2/t4-,5-,6-,8?,9-/m1/s1
InChIKey VJOQRIMZIIVVMP-VCDXOKSBSA-N
Molecular Weight 277.9760
SMILES [C@@]12(OC(C[C@@]3([C@]2(C[C@@](C3)(C1I)[H])[H])[H])=O)[H]
SPLASH splash10-004i-9200000000-13454d143b54c6a04993
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany