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4-Iodohexahydro-2(1H)-pentalenone
SpectraBase Compound ID 45wK08hO30x
InChI InChI=1S/C8H11IO/c9-8-2-1-5-3-6(10)4-7(5)8/h5,7-8H,1-4H2
InChIKey BBMIIJXILPVULD-UHFFFAOYSA-N
Mol Weight 250.08 g/mol
Molecular Formula C8H11IO
Exact Mass 249.98546 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AejUO0WTFki
Name 4-Iodohexahydro-2(1H)-pentalenone
Alternate Name(s) 2(1H)-Pentalenone, hexahydro-4-iodo- 4-iodanyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one 4-iodo-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one
CAS Registry Number 77070-56-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11IO
InChI InChI=1S/C8H11IO/c9-8-2-1-5-3-6(10)4-7(5)8/h5,7-8H,1-4H2
InChIKey BBMIIJXILPVULD-UHFFFAOYSA-N
Molecular Weight 250.079 g/mol
SMILES C1(I)CCC2C1CC(C2)=O
SPLASH splash10-00ea-9300000000-ba275ed332eb12ed5759
Source of Spectrum HE-1982-0-0
Wiley ID 1252591