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(3S,3aS,6S,6aS)-3,6-bis(bromanyl)-3a,6a-dimethyl-3,6-dihydropentalene-1,4-dicarbonitrile
SpectraBase Compound ID 2g8ThTRMgjL
InChI InChI=1S/C12H10Br2N2/c1-11-7(5-15)3-10(14)12(11,2)8(6-16)4-9(11)13/h3-4,9-10H,1-2H3/t9-,10-,11+,12+/m0/s1
InChIKey QMFPXNZVIDCFBT-NNYUYHANSA-N
Mol Weight 342.03 g/mol
Molecular Formula C12H10Br2N2
Exact Mass 339.921074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5wpbI6bIJRs
Name (3S,3aS,6S,6aS)-3,6-bis(bromanyl)-3a,6a-dimethyl-3,6-dihydropentalene-1,4-dicarbonitrile
CAS Registry Number 84451-92-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10Br2N2
InChI InChI=1S/C12H10Br2N2/c1-11-7(5-15)3-10(14)12(11,2)8(6-16)4-9(11)13/h3-4,9-10H,1-2H3/t9-,10-,11+,12+/m0/s1
InChIKey QMFPXNZVIDCFBT-NNYUYHANSA-N
Molecular Weight 342.034 g/mol
SMILES [C@]12([C@](C(C#N)=C[C@@]2(Br)[H])([C@@](Br)(C=C1C#N)[H])C)C
SPLASH splash10-03e9-0960000000-5e56e1ff7b49c1ab63b2
Source of Spectrum K-118-1171-13
Synonyms (3S,3aS,6S,6aS)-3,6-dibromo-3a,6a-dimethyl-3,6-dihydropentalene-1,4-dicarbonitrile
Wiley ID 1334803