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Methyl 12-(Ethoxysulfinyl)-9,10-ethanoanthracene-11-carboxylate
SpectraBase Compound ID BB4bXEyRt9U
InChI InChI=1S/C20H20O4S/c1-3-24-25(22)19-17-14-10-6-4-8-12(14)16(18(19)20(21)23-2)13-9-5-7-11-15(13)17/h4-11,16-19H,3H2,1-2H3/t16-,17+,18-,19-,25?/m1/s1
InChIKey WHEFJMVEHPZDGS-IZTQQJMPSA-N
Mol Weight 356.44 g/mol
Molecular Formula C20H20O4S
Exact Mass 356.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Ws0g15WYim
Name Methyl 12-(Ethoxysulfinyl)-9,10-ethanoanthracene-11-carboxylate
Alternate Name(s) Methyl 16-(ethoxysulfinyl)tetracyclo[6.6.2.0(2,7).0(9,14)]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O4S
InChI InChI=1S/C20H20O4S/c1-3-24-25(22)19-17-14-10-6-4-8-12(14)16(18(19)20(21)23-2)13-9-5-7-11-15(13)17/h4-11,16-19H,3H2,1-2H3/t16-,17+,18-,19-,25?/m1/s1
InChIKey WHEFJMVEHPZDGS-IZTQQJMPSA-N
Molecular Weight 356.436 g/mol
SMILES [C@@]1([C@]2(c3ccccc3[C@@]([C@]1(S(=O)OCC)[H])(c1ccccc21)[H])[H])(C(=O)OC)[H]
SPLASH splash10-03dr-4290000000-68202edca3102478955a
Source of Spectrum KC-61-1120-5
Wiley ID 1627380