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/c1-2-7-13-9-5-3-8(4-6-9)10(11)12/h2-6H,1,7H2,(H,11,12)
SMILES C=CCOc1ccc(cc1)C(=O)O
InChI Key DYDWKSVZHZNBLO-UHFFFAOYSA-N
Molecular Formula C10H10O3
Exact Mass 178.185 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DYDWKSVZHZNBLO-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source https://www.chemotion-repository.net/inchikey/DYDWKSVZHZNBLO-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author Nicole Jung
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:03:39.225327
MetadataModified 2024-09-07T13:31:27.901579
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
838063 eMolecules
16423071 PubChem: Thomson Pharma
SCHEMBL1489146 SureChEMBL
ZINC000002022960 ZINC
DTXSID90332726 EPA CompTox Dashboard
TICLAU CCDC
J671.651B Nikkaji
460690 PubChem
MCULE-8973770870 Mcule
The data in this table is sourced from UniChem at EBI.