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2.5-Dithia-[3.3]adamantano-2,6-pyridinophane-2,2,15,15,22-pentaoxide
SpectraBase Compound ID 2R4Q1oxjoOa
InChI InChI=1S/C19H25NO5S2/c21-20-15-2-1-3-16(20)9-27(24,25)11-19-14-5-12-4-13(7-14)18(17(19)6-12)10-26(22,23)8-15/h1-3,12-14,17-19H,4-11H2/t12-,13-,14-,17+,18+,19+/m1/s1
InChIKey HZARTDXIHXZFMI-ZSESHAFUSA-N
Mol Weight 411.53 g/mol
Molecular Formula C19H25NO5S2
Exact Mass 411.117415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JmiBNNC1BMA
Name 2.5-Dithia-[3.3]adamantano-2,6-pyridinophane-2,2,15,15,22-pentaoxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25NO5S2
InChI InChI=1S/C19H25NO5S2/c21-20-15-2-1-3-16(20)9-27(24,25)11-19-14-5-12-4-13(7-14)18(17(19)6-12)10-26(22,23)8-15/h1-3,12-14,17-19H,4-11H2/t12-,13-,14-,17+,18+,19+/m1/s1
InChIKey HZARTDXIHXZFMI-ZSESHAFUSA-N
Molecular Weight 411.531 g/mol
SMILES C1S(C[C@@]2([C@]3([C@@](CS(Cc4[n+](c1ccc4)[O-])(=O)=O)([C@]1(C[C@]2(C[C@](C1)(C3)[H])[H])[H])[H])[H])[H])(=O)=O
SPLASH splash10-0ab9-0901000000-1e0ef045e8594262c446
Source of Spectrum K-127-1155-10
Synonyms 4,12-dithia-22-azapentacyclo[15.3.1.1(6,10).0(2,15).0(14,19)]docosa-6,8,10(22)-triene 4,4,12,12,22-pentaoxide
Wiley ID 1374034