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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: C₂₄H₁₉NO₃S

Canonical SMILES:
CCOC(=O)c1sc(nc1OCC)c1ccc2c3c1ccc1c3c(cc2)ccc1

InChI:
InChI=1S/C24H19NO3S/c1-3-27-22-21(24(26)28-4-2)29-23(25-22)18-13-11-16-9-8-14-6-5-7-15-10-12-17(18)20(16)19(14)15/h5-13H,3-4H2,1-2H3

InChIKey:
UNKMLDXSYNSOMA-UHFFFAOYSA-N

Exact Mass:

Crosslinks:

Published on 2021-10-07

13C nuclear magnetic resonance spectroscopy (13C NMR)

Authors: Franziska Spruner von Mertz¹ - Eric Täuscher² - Uwe Ritter

1. Institut für Chemie und Biotechnologie, Technische Universität Ilmenau, Germany

2. Chemie und Biotechnik, Technische Universität Ilmenau, Germany

Analysis DOI:

Analysis ID:

Content:

13C NMR (75.5 MHz, DMSO-d6, ppm) δ = 168.2 (q), 165.3 (q), 160.8 (q), 133.3 (q), 131.3 (q), 130.6 (q), 130.2, 129.8, 128.4, 128.4, 128.1, 127.7, 127.5, 127.1, 126.6, 126.1 (q), 125.8, 124.8, 124.7, 123.9 (q), 67.4, 61.0, 15.4, 14.8.

Datasets

FSS47 13C-NMR

Formula: C24H19NO3S

Canonical SMILES: CCOC(=O)c1sc(nc1OCC)c1ccc2c3c1ccc1c3c(cc2)ccc1

InChI: InChI=1S/C24H19NO3S/c1-3-27-22-21(24(26)28-4-2)29-23(25-22)18-13-11-16-9-8-14-6-5-7-15-10-12-17(18)20(16)19(14)15/h5-13H,3-4H2,1-2H3

InChIKey: UNKMLDXSYNSOMA-UHFFFAOYSA-N