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2,7-Thianthrenedicarboxylic acid, diethyl ester
SpectraBase Compound ID GxEVlWuFmD5
InChI InChI=1S/C18H16O4S2/c1-3-21-17(19)11-5-7-13-15(9-11)23-14-8-6-12(10-16(14)24-13)18(20)22-4-2/h5-10H,3-4H2,1-2H3
InChIKey BZPUPGDTCZTMTC-UHFFFAOYSA-N
Mol Weight 360.44 g/mol
Molecular Formula C18H16O4S2
Exact Mass 360.049001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3w8vexFZuu3
Name 2,7-Thianthrenedicarboxylic acid, diethyl ester
Alternate Name(s) Diethyl thianthrene-2,7-dicarboxylate
CAS Registry Number 89050-50-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16O4S2
InChI InChI=1S/C18H16O4S2/c1-3-21-17(19)11-5-7-13-15(9-11)23-14-8-6-12(10-16(14)24-13)18(20)22-4-2/h5-10H,3-4H2,1-2H3
InChIKey BZPUPGDTCZTMTC-UHFFFAOYSA-N
Molecular Weight 360.442 g/mol
SMILES c12Sc3c(Sc2ccc(C(=O)OCC)c1)cc(cc3)C(=O)OCC
SPLASH splash10-03di-0019000000-d10729c720b869e21dbd
Source of Spectrum K-117-123-0
Wiley ID 1348171