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1,2-Benzenediol, o-(acethoxyacetyl)-o'-((phenylthio)acetyl)-

View entire compound with spectra: 1 NMR, and 1 FTIR

1,2-Benzenediol, o-(acethoxyacetyl)-o'-((phenylthio)acetyl)-
SpectraBase Compound ID 2lxxRzE3Yds
InChI InChI=1S/C18H16O6S/c1-13(19)22-11-17(20)23-15-9-5-6-10-16(15)24-18(21)12-25-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3
InChIKey VMWFWQGFNCBGTM-UHFFFAOYSA-N
Mol Weight 360.38 g/mol
Molecular Formula C18H16O6S
Exact Mass 360.066759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KDZ6qXW7SaC
Name 1,2-Benzenediol, o-(acethoxyacetyl)-o'-((phenylthio)acetyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.066759403 u
Formula C18H16O6S
InChI InChI=1S/C18H16O6S/c1-13(19)22-11-17(20)23-15-9-5-6-10-16(15)24-18(21)12-25-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3
InChIKey VMWFWQGFNCBGTM-UHFFFAOYSA-N
Molecular Weight 360.380 g/mol
SMILES C1(=CC=CC=C1OC(CSC1=CC=CC=C1)=O)OC(COC(=O)C)=O