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1H-Indene, 1,1,7-trichlorooctahydro-, (3a.alpha.,7.alpha.,7a.alpha.)-
SpectraBase Compound ID 7webUEYpy6e
InChI InChI=1S/C9H13Cl3/c10-7-3-1-2-6-4-5-9(11,12)8(6)7/h6-8H,1-5H2/t6-,7+,8+/m1/s1
InChIKey XJACQHKXFLKIEK-CSMHCCOUSA-N
Mol Weight 227.56 g/mol
Molecular Formula C9H13Cl3
Exact Mass 226.008284 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5rjS4AAXiIG
Name 1H-Indene, 1,1,7-trichlorooctahydro-, (3a.alpha.,7.alpha.,7a.alpha.)-
Alternate Name(s) (3aR,7S,7aS)-1,1,7-trichlorooctahydro-1H-indene
CAS Registry Number 124604-31-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13Cl3
InChI InChI=1S/C9H13Cl3/c10-7-3-1-2-6-4-5-9(11,12)8(6)7/h6-8H,1-5H2/t6-,7+,8+/m1/s1
InChIKey XJACQHKXFLKIEK-CSMHCCOUSA-N
Molecular Weight 227.562 g/mol
SMILES [C@]12(C(CC[C@]2(CCC[C@@]1(Cl)[H])[H])(Cl)Cl)[H]
SPLASH splash10-0a4i-3900000000-20061e93ee7aca665c01
Source of Spectrum J-55-1285-14
Wiley ID 1226851