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9-Oxatricyclo[4.2.1.0(2,5)]non-7-ene, 3,4-dichloro-1-methyl-6,7,8-triphenyl-, (1.alpha.,2.beta.,3.beta.,4.beta.,5.beta.,6.alpha.)-
SpectraBase Compound ID DBTkcyvZ6Bi
InChI InChI=1S/C27H22Cl2O/c1-26-20(17-11-5-2-6-12-17)21(18-13-7-3-8-14-18)27(30-26,19-15-9-4-10-16-19)23-22(26)24(28)25(23)29/h2-16,22-25H,1H3/t22-,23+,24+,25-,26-,27-/m0/s1
InChIKey QXFKZWRDKUDNHU-AKCFYGDASA-N
Mol Weight 433.38 g/mol
Molecular Formula C27H22Cl2O
Exact Mass 432.104771 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KquZx0XTQln
Name 9-Oxatricyclo[4.2.1.0(2,5)]non-7-ene, 3,4-dichloro-1-methyl-6,7,8-triphenyl-, (1.alpha.,2.beta.,3.beta.,4.beta.,5.beta.,6.alpha.)-
Alternate Name(s) (1R,2R,3R,4S,5S,6S)-3,4-dichloro-1-methyl-6,7,8-triphenyl-9-oxatricyclo[4.2.1.0(2,5)]non-7-ene 3,4-Dichloro-1-methyl-6,7,8-triphenyl-cis-cisoid-1,2-cis-2,5-transoid-2,3-cis-3,4-9-oxatricyclo[4.2.1.0(2,5)]non-7-ene
CAS Registry Number 67672-88-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H22Cl2O
InChI InChI=1S/C27H22Cl2O/c1-26-20(17-11-5-2-6-12-17)21(18-13-7-3-8-14-18)27(30-26,19-15-9-4-10-16-19)23-22(26)24(28)25(23)29/h2-16,22-25H,1H3/t22-,23+,24+,25-,26-,27-/m0/s1
InChIKey QXFKZWRDKUDNHU-AKCFYGDASA-N
Molecular Weight 433.378 g/mol
SMILES [C@]12(C(=C(c3ccccc3)[C@@](O1)(C)[C@]1([C@@]2([C@@]([C@@]1(Cl)[H])(Cl)[H])[H])[H])c1ccccc1)c1ccccc1
SPLASH splash10-08fr-4319200000-4ff82720bf53368a07a5
Source of Spectrum B-34-435-0
Wiley ID 1382433