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rubicene-5-sulphonic acid
SpectraBase Compound ID 9gC6J0lENz5
InChI InChI=1S/C26H14O3S/c27-30(28,29)14-11-12-19-22(13-14)18-8-4-10-20-23-16-6-2-1-5-15(16)17-7-3-9-21(24(17)23)26(19)25(18)20/h1-13H,(H,27,28,29)
InChIKey HSHBDMYCBDLWLX-UHFFFAOYSA-N
Mol Weight 406.46 g/mol
Molecular Formula C26H14O3S
Exact Mass 406.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6NzPpFcUZFV
Name rubicene-5-sulphonic acid
CAS Registry Number 128710-32-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H14O3S
InChI InChI=1S/C26H14O3S/c27-30(28,29)14-11-12-19-22(13-14)18-8-4-10-20-23-16-6-2-1-5-15(16)17-7-3-9-21(24(17)23)26(19)25(18)20/h1-13H,(H,27,28,29)
InChIKey HSHBDMYCBDLWLX-UHFFFAOYSA-N
Molecular Weight 406.455 g/mol
SMILES OS(c1ccc-2c(c1)-c1c3c2c2c4c(-c5ccccc5-c4ccc2)c3ccc1)(=O)=O
SPLASH splash10-004i-3309000000-82fbe6a6298194273bcc
Source of Spectrum K-123-1985-0
Synonyms 5-rubicenesulfonic acid
Wiley ID 1372373