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/C15H14O4/c1-17-12-7-9-14(10-8-12)19-13-5-3-11(4-6-13)15(16)18-2/h3-10H,1-2H3
SMILES COc1ccc(cc1)Oc1ccc(cc1)C(=O)OC
InChI Key IHBXGAXXJNVDHD-UHFFFAOYSA-N
Molecular Formula C15H14O4
Exact Mass 258.269 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IHBXGAXXJNVDHD-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/IHBXGAXXJNVDHD-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author Nicole Jung
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:45:29.876700
MetadataModified 2024-09-07T13:04:29.884926
MetadataPublished 2014-05-27
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID00651798 EPA CompTox Dashboard
ZINC000020391016 ZINC
124364483 PubChem: Thomson Pharma
28911129 PubChem
SCHEMBL2188276 SureChEMBL
J2.685.320F Nikkaji
The data in this table is sourced from UniChem at EBI.