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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: C₄₃H₅₆NO₅PPdS

Canonical SMILES:
Nc1ccccc1c1ccccc1[Pd]OS(=O)(=O)C.CC(Oc1cccc(c1c1ccccc1P(C1CCCCC1)C1CCCCC1)OC(C)C)C

InChI:
InChI=1S/C30H43O2P.C12H10N.CH4O3S.Pd/c1-22(2)31-27-19-13-20-28(32-23(3)4)30(27)26-18-11-12-21-29(26)33(24-14-7-5-8-15-24)25-16-9-6-10-17-25;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h11-13,18-25H,5-10,14-17H2,1-4H3;1-6,8-9H,13H2;1H3,(H,2,3,4);/q;;;+1/p-1

InChIKey:
AXZLIMCJMPNFFU-UHFFFAOYSA-M

Exact Mass:

Crosslinks:

Published on 2024-07-08

heteronuclear single quantum coherence (HSQC)

Author: Fabian Schönle¹

1. Institute of Biological and Chemical Systems (IBCS), Karlsruhe Institute of Technology (KIT), Germany

Analysis DOI:

Analysis ID:

Content:

Datasets

HSQC

Formula: C43H56NO5PPdS

Canonical SMILES: Nc1ccccc1c1ccccc1[Pd]OS(=O)(=O)C.CC(Oc1cccc(c1c1ccccc1P(C1CCCCC1)C1CCCCC1)OC(C)C)C

InChI: InChI=1S/C30H43O2P.C12H10N.CH4O3S.Pd/c1-22(2)31-27-19-13-20-28(32-23(3)4)30(27)26-18-11-12-21-29(26)33(24-14-7-5-8-15-24)25-16-9-6-10-17-25;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h11-13,18-25H,5-10,14-17H2,1-4H3;1-6,8-9H,13H2;1H3,(H,2,3,4);/q;;;+1/p-1

InChIKey: AXZLIMCJMPNFFU-UHFFFAOYSA-M