Dataset
distortionless enhancement with polarization transfer (DEPT)
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 |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/GJKFWXCOBDISCW-RXFVIIJJSA-N/DEPT/90 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/GJKFWXCOBDISCW-RXFVIIJJSA-N/DEPT/90 |
Version | |
Author | Benjamin Goerling |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T23:55:04.319271 |
MetadataModified | 2024-09-07T13:18:40.215718 |
MetadataPublished | 2014-05-27 |
Field | Value |
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Measurement Technique | distortionless enhancement with polarization transfer |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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73427296 | PubChem |
The data in this table is sourced from UniChem at EBI. |