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5,7-PERI-NAPHTHALENO-1,6-METHANO-[10]-ANNULENE-2-SULFONIC-ACID
SpectraBase Compound ID 5heqlYRDNZP
InChI InChI=1S/C21H14O3S/c22-25(23,24)20-11-10-16-18-9-2-5-13-4-1-8-17(21(13)18)15-7-3-6-14(20)12-19(15)16/h1-11H,12H2,(H,22,23,24)
InChIKey HREWDBBVWXYOQT-UHFFFAOYSA-N
Mol Weight 346.4 g/mol
Molecular Formula C21H14O3S
Exact Mass 346.066365 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4R2yfrXU0gi
Name 5,7-PERI-NAPHTHALENO-1,6-METHANO-[10]-ANNULENE-2-SULFONIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H14O3S
InChI InChI=1S/C21H14O3S/c22-25(23,24)20-11-10-16-18-9-2-5-13-4-1-8-17(21(13)18)15-7-3-6-14(20)12-19(15)16/h1-11H,12H2,(H,22,23,24)
InChIKey HREWDBBVWXYOQT-UHFFFAOYSA-N
Literature Reference Author H.CERFONTAIN,A.KOEBERG-TELDER,U.LERCH
Literature Reference Citation REC.TR.CH.P.-B.,112,584(1993)
Literature Reference DOI 10.1002/recl.19931121105
Molecular Weight 346.400 g/mol
Solvent CD2Cl2
Source File Reference UWTS2216