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Tricyclo[5.1.0.0(2,4)]octane, 3,3,5-trichloro-, (1.alpha.,2.beta.,4.beta.,5.beta.,7.alpha.)-
SpectraBase Compound ID p4aNzJXo2r
InChI InChI=1S/C8H9Cl3/c9-5-2-3-1-4(3)6-7(5)8(6,10)11/h3-7H,1-2H2/t3-,4-,5+,6+,7-/m1/s1
InChIKey NNRCXKJFWJAWRM-ULQPCXBYSA-N
Mol Weight 211.52 g/mol
Molecular Formula C8H9Cl3
Exact Mass 209.976983 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JO8jSKWLBUn
Name Tricyclo[5.1.0.0(2,4)]octane, 3,3,5-trichloro-, (1.alpha.,2.beta.,4.beta.,5.beta.,7.alpha.)-
CAS Registry Number 77714-73-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9Cl3
InChI InChI=1S/C8H9Cl3/c9-5-2-3-1-4(3)6-7(5)8(6,10)11/h3-7H,1-2H2/t3-,4-,5+,6+,7-/m1/s1
InChIKey NNRCXKJFWJAWRM-ULQPCXBYSA-N
Molecular Weight 211.519 g/mol
SMILES C1([C@@]2([C@](C[C@@]3([C@]([C@]12[H])(C3)[H])[H])(Cl)[H])[H])(Cl)Cl
SPLASH splash10-00fr-0920000000-e6fd5ac662a127fd55ee
Source of Spectrum B-33-2288-0
Synonyms (1.alpha.,2.beta.,4.beta.,5.beta.,7.alpha.)- and (1.alpha.,2.beta.,4.beta.,5.alpha.,7.alpha.)-3,3,5-trichloro-cis-transoid-cis-tricyclo[5.1.0.0(2,4)]octane (1R,2S,4S,5S,7R)-3,3,5-trichlorotricyclo[5.1.0.0(2,4)]octane
Wiley ID 1208571