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Pestalotether C
SpectraBase Compound ID LvSvU4n86QH
InChI InChI=1S/C18H17ClO8/c1-8-5-10(20)13(18(23)26-4)11(6-8)27-16-14(19)12(24-2)7-9(15(16)21)17(22)25-3/h5-7,20-21H,1-4H3
InChIKey UDUNDMNLNSSYAH-UHFFFAOYSA-N
Mol Weight 396.78 g/mol
Molecular Formula C18H17ClO8
Exact Mass 396.061195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I1ZJHbIwyRx
Name Pestalotether C
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17ClO8
InChI InChI=1S/C18H17ClO8/c1-8-5-10(20)13(18(23)26-4)11(6-8)27-16-14(19)12(24-2)7-9(15(16)21)17(22)25-3/h5-7,20-21H,1-4H3
InChIKey UDUNDMNLNSSYAH-UHFFFAOYSA-N
Molecular Weight 396.779 g/mol
SMILES Oc1c(Oc2c(c(cc(c2)C)O)C(=O)OC)c(c(cc1C(=O)OC)OC)Cl
SPLASH splash10-01r2-0009000000-cf4386a19315c37aa1bd
Source of Spectrum F-68-2305-3
Wiley ID 1708004