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This information is based on the molecular structure shown on the left side. For a decoupled sample, please refer to its individual details.

Formula: C₁₀H₈O₈S₂

Canonical SMILES:
Oc1cc(cc2c1c(O)cc(c2)S(=O)(=O)O)S(=O)(=O)O

InChI:
InChI=1S/C10H8O8S2/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8/h1-4,11-12H,(H,13,14,15)(H,16,17,18)

InChIKey:
HLVXFWDLRHCZEI-UHFFFAOYSA-N

Exact Mass:

Crosslinks:

Published on 2025-01-17

heteronuclear multiple bond coherence (HMBC)

Author: Simone Gräßle^1,2

1. Institute of Organic Chemistry, Karlsruhe Institute of Technology, Germany

2. Institute of Biological and Chemical Systems - Functional Molecular Systems, Karlsruhe Institute of Technology, Germany

Analysis DOI:

Analysis ID:

Content:

Datasets

HMBC

Formula: C10H8O8S2

Canonical SMILES: Oc1cc(cc2c1c(O)cc(c2)S(=O)(=O)O)S(=O)(=O)O

InChI: InChI=1S/C10H8O8S2/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8/h1-4,11-12H,(H,13,14,15)(H,16,17,18)

InChIKey: HLVXFWDLRHCZEI-UHFFFAOYSA-N