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2.5-Dithia-[3.3]adamantano-2,6-pyridinophane
SpectraBase Compound ID Gioy4aPZBzw
InChI InChI=1S/C19H25NS2/c1-3-16-5-2-6-18-8-14-7-15(9-18)11-19(10-14,22-18)13-21-12-17(4-1)20-16/h1,3-4,14-15H,2,5-13H2/t14-,15+,18-,19+
InChIKey WTVBNCGVPOVBLR-UHFFFAOYSA-N
Mol Weight 331.54 g/mol
Molecular Formula C19H25NS2
Exact Mass 331.142842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LvxskseSA3v
Name 2.5-Dithia-[3.3]adamantano-2,6-pyridinophane
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25NS2
InChI InChI=1S/C19H25NS2/c1-3-16-5-2-6-18-8-14-7-15(9-18)11-19(10-14,22-18)13-21-12-17(4-1)20-16/h1,3-4,14-15H,2,5-13H2/t14-,15+,18-,19+
InChIKey WTVBNCGVPOVBLR-UHFFFAOYSA-N
Molecular Weight 331.536 g/mol
SMILES [C@]123S[C@]4(C[C@@](C3)(C[C@](C4)(C2)[H])[H])CCCc2nc(CSC1)ccc2
SPLASH splash10-001r-0809000000-7e459455bb6ff5fc8702
Source of Spectrum K-127-1155-10
Synonyms 3,19-dithia-22-azapentacyclo[11.5.1.1(1,15).1(5,9).1(13,17)]docosa-5(22),6,8-triene
Wiley ID 1328775