Dataset
distortionless enhancement with polarization transfer (DEPT)
Chemical Info
InChI | InChI=1S/C25H30Cl3NO9/c1-4-12-35-23-20(29-24(33)25(26,27)28)22(38-19(32)11-10-15(2)30)21(36-16(3)31)18(37-23)14-34-13-17-8-6-5-7-9-17/h4-9,18,20-23H,1,10-14H2,2-3H3,(H,29,33)/t18-,20-,21-,22-,23-/m1/s1 |
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SMILES | C=CCO[C@@H]1O[C@H](COCc2ccccc2)[C@H]([C@@H]([C@H]1NC(=O)C(Cl)(Cl)Cl)OC(=O)CCC(=O)C)OC(=O)C |
InChI Key | SJXPPFSITHCICG-OKKOYFSCSA-N |
Molecular Formula | C25H30Cl3NO9 |
Exact Mass | 594.866 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/SJXPPFSITHCICG-OKKOYFSCSA-N/DEPT/45 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/SJXPPFSITHCICG-OKKOYFSCSA-N/DEPT/45 |
Version | |
Author | Benjamin Goerling |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T22:48:24.253484 |
MetadataModified | 2024-09-07T12:23:55.477791 |
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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73427297 | PubChem |
The data in this table is sourced from UniChem at EBI. |