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(3aR,8bS)-1,1-bis(chloranyl)-7-methoxy-3,3a,4,8b-tetrahydrocyclopenta[a]inden-2-one
SpectraBase Compound ID IU9tjmPJoEz
InChI InChI=1S/C13H12Cl2O2/c1-17-9-3-2-7-4-8-5-11(16)13(14,15)12(8)10(7)6-9/h2-3,6,8,12H,4-5H2,1H3/t8-,12+/m1/s1
InChIKey NLHVZTNXBZZLEM-PELKAZGASA-N
Mol Weight 271.14 g/mol
Molecular Formula C13H12Cl2O2
Exact Mass 270.021435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9XYrpDft5Ae
Name (3aR,8bS)-1,1-bis(chloranyl)-7-methoxy-3,3a,4,8b-tetrahydrocyclopenta[a]inden-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12Cl2O2
InChI InChI=1S/C13H12Cl2O2/c1-17-9-3-2-7-4-8-5-11(16)13(14,15)12(8)10(7)6-9/h2-3,6,8,12H,4-5H2,1H3/t8-,12+/m1/s1
InChIKey NLHVZTNXBZZLEM-PELKAZGASA-N
Molecular Weight 271.143 g/mol
SMILES C1([C@@]2(c3c(ccc(c3)OC)C[C@]2([H])CC1=O)[H])(Cl)Cl
SPLASH splash10-00dl-0940000000-0af68afd584d9365349c
Source of Spectrum J-59-1202-5
Synonyms (3aR,8bS)-1,1-dichloro-7-methoxy-3,3a,4,8b-tetrahydrocyclopenta[a]inden-2-one (3aR,8bS)-1,1-dichloro-7-methoxy-3,3a,4,8b-tetrahydrocyclopent[a]inden-2-one
Wiley ID 1273811