Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C10H10O3/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h3-7H,2H2,1H3
SMILES CCOC(=O)c1ccc(cc1)C=O
InChI Key BHYVHYPBRYOMGC-UHFFFAOYSA-N
Molecular Formula C10H10O3
Exact Mass 178.185 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BHYVHYPBRYOMGC-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/BHYVHYPBRYOMGC-UHFFFAOYSA-N/CHMO0000593
Version
Author Stefan Marschner
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:45:37.672799
MetadataModified 2024-09-07T16:04:49.565187
MetadataPublished 2019-08-15
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
6287-86-1 ACToR
SCHEMBL528212 SureChEMBL
80498 PubChem
16902545 PubChem: Thomson Pharma
36805652 eMolecules
DTXSID20212042 EPA CompTox Dashboard
J206.850H Nikkaji
ZINC000001718709 ZINC
CB6925039 ChemicalBook
The data in this table is sourced from UniChem at EBI.