Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C10H10O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h3-6H,1-2H3
SMILES COC(=O)c1cccc(c1)C(=O)OC
InChI Key VNGOYPQMJFJDLV-UHFFFAOYSA-N
Molecular Formula C10H10O4
Exact Mass 194.184 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VNGOYPQMJFJDLV-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/VNGOYPQMJFJDLV-UHFFFAOYSA-N/CHMO0000595
Version
Author Alex Johnson
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:04:54.544412
MetadataModified 2024-09-08T04:04:54.544418
MetadataPublished 2024-07-08
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-3230324954 Mcule
10008637 NMRShiftDB
15088 PubChem
J7.498E Nikkaji
GOHRUS CCDC
DTXSID8027402 EPA CompTox Dashboard
ZINC000000061511 ZINC
487023 eMolecules
14867722 PubChem: Thomson Pharma
259522 Brenda
2UY9Y3574K FDA SRS
SCHEMBL34953 SureChEMBL
1459-93-4 ACToR
CHEMBL2010300 ChEMBL
151192 Brenda
CB7265116 ChemicalBook
The data in this table is sourced from UniChem at EBI.