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/C15H13ClO3/c1-10-9-11(7-8-13(10)16)19-14-6-4-3-5-12(14)15(17)18-2/h3-9H,1-2H3
SMILES COC(=O)c1ccccc1Oc1ccc(c(c1)C)Cl
InChI Key MCIBTIHXZOLGTI-UHFFFAOYSA-N
Molecular Formula C15H13ClO3
Exact Mass 276.715 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MCIBTIHXZOLGTI-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source https://www.chemotion-repository.net/inchikey/MCIBTIHXZOLGTI-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:40:03.990552
MetadataModified 2024-09-07T12:56:21.764717
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
73427447 PubChem
The data in this table is sourced from UniChem at EBI.