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12,14,15-trichlorohexacyclo[8.6.1.1(4,7).0(2,9).0(3,8).0(11,16)]octadecan-5,11,13,15-tetraene
SpectraBase Compound ID KiFvvclLlPT
InChI InChI=1S/C18H15Cl3/c19-10-5-11(20)18(21)17-9-4-8(14(10)17)15-12-6-1-2-7(3-6)13(12)16(9)15/h1-2,5-9,12-13,15-16H,3-4H2/t6-,7+,8+,9+,12?,13?,15-,16-/m0/s1
InChIKey NOPJCIJOJJBSPN-UHFFFAOYSA-N
Mol Weight 337.68 g/mol
Molecular Formula C18H15Cl3
Exact Mass 336.023934 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Cd8tB5HoB6
Name 12,14,15-trichlorohexacyclo[8.6.1.1(4,7).0(2,9).0(3,8).0(11,16)]octadecan-5,11,13,15-tetraene
Appearance Colorless solid
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Formula C18H15Cl3
InChI InChI=1S/C18H15Cl3/c19-10-5-11(20)18(21)17-9-4-8(14(10)17)15-12-6-1-2-7(3-6)13(12)16(9)15/h1-2,5-9,12-13,15-16H,3-4H2/t6-,7+,8+,9+,12?,13?,15-,16-/m0/s1
InChIKey NOPJCIJOJJBSPN-UHFFFAOYSA-N
Instrument Name VG70-250S
Ionization Type EI
Literature Reference DOI 10.1002/jccs.202100205
Molecular Weight 337.677 g/mol
SMILES c12[C@]3(C[C@@](c2c(c(cc1Cl)Cl)Cl)([C@@]1([C@@]3(C2[C@@]3(C[C@@](C=C3)(C12)[H])[H])[H])[H])[H])[H]
SPLASH splash10-00dr-0392000000-e9ee513346a7ce6556ec
Source of Spectrum QA-68-2219-NB9
Wiley ID 1871883