13C nuclear magnetic resonance spectroscopy (13C NMR)
URL: https://www.chemotion-repository.net/inchikey/GJKFWXCOBDISCW-RXFVIIJJSA-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/C25H32O7S/c1-4-33-25-24(31-17(2)26)23(30-15-18-8-6-5-7-9-18)22(27)21(32-25)16-29-14-19-10-12-20(28-3)13-11-19/h5-13,21-25,27H,4,14-16H2,1-3H3/t21-,22-,23+,24-,25+/m1/s1 |
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SMILES | CCS[C@@H]1O[C@H](COCc2ccc(cc2)OC)[C@H]([C@@H]([C@H]1OC(=O)C)OCc1ccccc1)O |
InChI Key | GJKFWXCOBDISCW-RXFVIIJJSA-N |
Molecular Formula | C25H32O7S |
Exact Mass | 476.582 g/mol |
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Additional Information
Field | Value |
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Data last updated | September 7, 2024 |
Metadata last updated | September 7, 2024 |
Created | September 7, 2024 |
Format | HTML |
License | No License Provided |
Id | b09c146a-62d4-48a3-a859-1ab9db06627b |
Package id | 10-14272-gjkfwxcobdiscw-rxfviijjsa-n-nmr-13c-cdcl3-100 |
Resource type | HTML |
State | active |