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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: C₁₅H₂₂O₅S

Canonical SMILES:
CCS[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OCc1ccccc1)O

InChI:
InChI=1S/C15H22O5S/c1-2-21-15-13(18)14(12(17)11(8-16)20-15)19-9-10-6-4-3-5-7-10/h3-7,11-18H,2,8-9H2,1H3/t11-,12-,13-,14+,15+/m1/s1

InChIKey:
QZYDYKUQPIMRSF-ZSAUSMIDSA-N

Exact Mass:

Crosslinks:

Published on 2014-05-27

13C nuclear magnetic resonance spectroscopy (13C NMR)

Author: Benjamin Goerling

Analysis DOI:

Analysis ID:

Content:

138.4 (Cquart, Carom), 128.7 (+, 2 × CaromH), 128.1 (+, CaromH), 128.1 (+, 2 × CaromH), 86.7 (+, CH), 85.0 (+, CH), 79.4 (+, CH), 74.8 (–, CH2Ph), 73.2 (+, CH), 70.2 (+, CH), 62.8 (–, CH2, C-6), 24.6 (–, CH2CH3), 15.4 (+, CH2CH3)

Datasets

1D13C

Formula: C15H22O5S

Canonical SMILES: CCS[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OCc1ccccc1)O

InChI: InChI=1S/C15H22O5S/c1-2-21-15-13(18)14(12(17)11(8-16)20-15)19-9-10-6-4-3-5-7-10/h3-7,11-18H,2,8-9H2,1H3/t11-,12-,13-,14+,15+/m1/s1

InChIKey: QZYDYKUQPIMRSF-ZSAUSMIDSA-N