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2-(1-Thianthrenyl)-1,8a-dihydro-1,1-azulenedicarbonitrile
SpectraBase Compound ID AQTOR80CXVe
InChI InChI=1S/C24H14N2S2/c25-14-24(15-26)18-9-3-1-2-7-16(18)13-19(24)17-8-6-12-22-23(17)28-21-11-5-4-10-20(21)27-22/h1-13,18H
InChIKey MOQSBIYWKBQMJX-UHFFFAOYSA-N
Mol Weight 394.51 g/mol
Molecular Formula C24H14N2S2
Exact Mass 394.059841 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ch9rst7Tl2O
Name 2-(1-Thianthrenyl)-1,8a-dihydro-1,1-azulenedicarbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C24H14N2S2
InChI InChI=1S/C24H14N2S2/c25-14-24(15-26)18-9-3-1-2-7-16(18)13-19(24)17-8-6-12-22-23(17)28-21-11-5-4-10-20(21)27-22/h1-13,18H
InChIKey MOQSBIYWKBQMJX-UHFFFAOYSA-N
Molecular Weight 394.510 g/mol
SMILES C=1(C(C2C=CC=CC=C2C1)(C#N)C#N)c1c2Sc3ccccc3Sc2ccc1
SPLASH splash10-0006-0009000000-bc548af7a9ad2d803541
Source of Spectrum QE-2-1155-0
Synonyms 2-(1-thianthrenyl)-1,1(8aH)-azulenedicarbonitrile
Wiley ID 842749