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Spiro[thietan-2,9'-xanthen]-trans-dicarboxylic acid-(3,4)-dimethylester
SpectraBase Compound ID Ljo57xWbwKE
InChI InChI=1S/C19H16O5S/c1-22-17(20)15-16(18(21)23-2)25-19(15)11-7-3-5-9-13(11)24-14-10-6-4-8-12(14)19/h3-10,15-16H,1-2H3/t15-,16-/m0/s1
InChIKey QUXSVQAWKNQYJT-HOTGVXAUSA-N
Mol Weight 356.39 g/mol
Molecular Formula C19H16O5S
Exact Mass 356.071845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AKEsHFQ7bOi
Name Spiro[thietan-2,9'-xanthen]-trans-dicarboxylic acid-(3,4)-dimethylester
Alternate Name(s) Dimethyl (3R,4S)-spiro[thietane-2,9'-xanthene]-3,4-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16O5S
InChI InChI=1S/C19H16O5S/c1-22-17(20)15-16(18(21)23-2)25-19(15)11-7-3-5-9-13(11)24-14-10-6-4-8-12(14)19/h3-10,15-16H,1-2H3/t15-,16-/m0/s1
InChIKey QUXSVQAWKNQYJT-HOTGVXAUSA-N
Literature Reference DOI 10.1002/cber.19721050627
Molecular Weight 356.392 g/mol
SMILES c1cc2c(cc1)C1(c3c(O2)cccc3)[C@@]([C@](S1)(C(OC)=O)[H])(C(OC)=O)[H]
SPLASH splash10-03di-0390000000-20c9bd0cd0315dd807b6
Source of Spectrum K-105-2023-23
Wiley ID 1794734