Dataset
31P nuclear magnetic resonance spectroscopy (31P NMR)
Chemical Info
InChI | InChI=1S/C18H15O3P/c1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15H |
---|---|
SMILES | c1ccc(cc1)OP(Oc1ccccc1)Oc1ccccc1 |
InChI Key | HVLLSGMXQDNUAL-UHFFFAOYSA-N |
Molecular Formula | C18H15O3P |
Exact Mass | 310.284 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/HVLLSGMXQDNUAL-UHFFFAOYSA-N/CHMO0000739 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/HVLLSGMXQDNUAL-UHFFFAOYSA-N/CHMO0000739 |
Version | |
Author | Helena Šimek Tosino |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T03:25:47.417888 |
MetadataModified | 2024-09-08T03:25:47.417893 |
MetadataPublished | 2024-05-10 |
Field | Value |
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Measurement Technique | 31P nuclear magnetic resonance spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
CHEMBL1875503 | ChEMBL |
532938 | eMolecules |
J3.594G | Nikkaji |
PUXLUP | CCDC |
9P45GRD24X | FDA SRS |
101-02-0 | ACToR |
SCHEMBL13289 | SureChEMBL |
14772192 | PubChem: Thomson Pharma |
7540 | PubChem |
CB5296820 | ChemicalBook |
20000262 | NMRShiftDB |
DTXSID0026252 | EPA CompTox Dashboard |
ZINC000002504359 | ZINC |
The data in this table is sourced from UniChem at EBI. |