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10H-1,13-Etheno-5,9-nitrilo-4H-3,11-benzodithiacyclopentadecine, 2,12-dihydro-3,3,11,11-tetraoxide
SpectraBase Compound ID AMJIxvjGvFt
InChI InChI=1S/C19H17NO4S2/c21-25(22)10-14-8-9-15(19-7-2-1-6-18(14)19)11-26(23,24)13-17-5-3-4-16(12-25)20-17/h1-9H,10-13H2
InChIKey NWEWEHJKMGQALQ-UHFFFAOYSA-N
Mol Weight 387.47 g/mol
Molecular Formula C19H17NO4S2
Exact Mass 387.0599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BDSZtxc2Oyl
Name 10H-1,13-Etheno-5,9-nitrilo-4H-3,11-benzodithiacyclopentadecine, 2,12-dihydro-3,3,11,11-tetraoxide
CAS Registry Number 99677-65-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17NO4S2
InChI InChI=1S/C19H17NO4S2/c21-25(22)10-14-8-9-15(19-7-2-1-6-18(14)19)11-26(23,24)13-17-5-3-4-16(12-25)20-17/h1-9H,10-13H2
InChIKey NWEWEHJKMGQALQ-UHFFFAOYSA-N
Molecular Weight 387.468 g/mol
SMILES C1S(=O)(Cc2ccc(CS(Cc3cccc1n3)(=O)=O)c1c2cccc1)=O
SPLASH splash10-0a4i-0190000000-c80d67fb8b78adc68034
Source of Spectrum K-118-4900-13
Synonyms 2,13-Dithia-[3](1,4)naphthaleno[3](2,6)pyridinophane, 2,2,13,13-tetraoxide
Wiley ID 1363326