Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)\n\n

Chemical Info

molecular Image
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/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/HVLLSGMXQDNUAL-UHFFFAOYSA-N/CHMO0001150
Version
Author Helena Šimek Tosino
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:25:38.304072
MetadataModified 2024-09-08T03:25:38.304077
MetadataPublished 2024-05-10
Field Value
Measurement Technique 1H–1H correlation 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.