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3,11-Dithia-17,18-diazatricyclo[11.3.1.1(5,9)]octadeca-1(17),5,7,9(18), 13,15-hexaene, 3,11-dioxide
SpectraBase Compound ID 4xCuDxpNLLo
InChI InChI=1S/C14H14N2O2S2/c17-19-7-11-3-1-4-12(15-11)8-20(18)10-14-6-2-5-13(9-19)16-14/h1-6H,7-10H2
InChIKey LLMVUFSWBAETGY-UHFFFAOYSA-N
Mol Weight 306.4 g/mol
Molecular Formula C14H14N2O2S2
Exact Mass 306.04967 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lv94YaVAw0z
Name 3,11-Dithia-17,18-diazatricyclo[11.3.1.1(5,9)]octadeca-1(17),5,7,9(18), 13,15-hexaene, 3,11-dioxide
Alternate Name(s) 2,11-Dithia[3.3)][2.6]pyridinophane 2,11-dioxide 3,11-dithia-17,18-diazatricyclo[11.3.1.1(5,9)]octadeca-1(17),5(18),6,8,13,15-hexaene 3,11-dioxide
CAS Registry Number 71981-60-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14N2O2S2
InChI InChI=1S/C14H14N2O2S2/c17-19-7-11-3-1-4-12(15-11)8-20(18)10-14-6-2-5-13(9-19)16-14/h1-6H,7-10H2
InChIKey LLMVUFSWBAETGY-UHFFFAOYSA-N
Molecular Weight 306.398 g/mol
SMILES C1S(Cc2nc(CS(Cc3nc1ccc3)=O)ccc2)=O
SPLASH splash10-0bt9-0090000000-d2d8ef76b2cee86d22b2
Source of Spectrum B-32-1247-0
Wiley ID 1307780