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ISODIRIN
SpectraBase Compound ID 6hXKZcxG1tS
InChI InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2/t4-,5+,6-,7-,10-,11+/m1/s1
InChIKey QBYJBZPUGVGKQQ-VKSUTUQISA-N
Mol Weight 364.9 g/mol
Molecular Formula C12H8Cl6
Exact Mass 361.875716 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BYeG2e2NWkr
Name Aldrin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8Cl6
InChI InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2/t4-,5+,6-,7-,10-,11+/m1/s1
InChIKey QBYJBZPUGVGKQQ-VKSUTUQISA-N
Literature Reference DOI 10.1002/rcm.2282
Molecular Weight 364.914 g/mol
SMILES C=1([C@]2(C([C@](C1Cl)(Cl)[C@@]1([C@@]3(C[C@]([C@@]21[H])(C=C3)[H])[H])[H])(Cl)Cl)Cl)Cl
SPLASH splash10-0006-0090000000-f3dc461a1e8d270c4693
Source of Spectrum RCM-20-119-Aldrin
Synonyms (1R,4S,4aS,5S,8R,8aR)-1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene
Wiley ID 1820395