13C nuclear magnetic resonance spectroscopy (13C NMR)
URL: https://www.chemotion-repository.net/inchikey/PBTUVUQCTONFGS-YYDJUVGSSA-N/NMR/13C/CDCl3/100
Dataset description:
dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n
Source: 13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
InChI | InChI=1S/C23H22N2OS2/c1-3-8-18(9-4-1)22(23-27-16-7-17-28-23)25-24-19-12-14-21(15-13-19)26-20-10-5-2-6-11-20/h1-6,8-15,23-24H,7,16-17H2/b25-22+ |
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SMILES | c1ccc(cc1)Oc1ccc(cc1)N/N=C(\c1ccccc1)/C1SCCCS1 |
InChI Key | PBTUVUQCTONFGS-YYDJUVGSSA-N |
Molecular Formula | C23H22N2OS2 |
Exact Mass | 406.564 g/mol |
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Additional Information
Field | Value |
---|---|
Data last updated | September 7, 2024 |
Metadata last updated | September 7, 2024 |
Created | September 7, 2024 |
Format | HTML |
License | No License Provided |
Id | 573fe204-cedf-4140-9290-b3d786787f4c |
Package id | 10-14272-pbtuvuqctonfgs-yydjuvgssa-n-nmr-13c-cdcl3-100 |
Resource type | HTML |
State | active |