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/C15H14O/c1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h3-10H,1-2H3
SMILES CC1(C)c2ccccc2Oc2c1cccc2
InChI Key MTVNAPYHLASOSX-UHFFFAOYSA-N
Exact Mass 210.271 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MTVNAPYHLASOSX-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/MTVNAPYHLASOSX-UHFFFAOYSA-N/CHMO0000595
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:21:51.992272
MetadataModified 2024-09-23T09:23:04.432181
MetadataPublished 2024-04-25
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Temperature : 300.0 K K

Puls programme : zgpg30

Number of scans : 256

Title : FAS-Dimethylxanthan

Date : 20240419

Start time : 9.16 h

Instrument : spect

Label : FAS-17

ID : 115908

Solvent : DMSO

Data-Source Molecule ID Data-Source
SCHEMBL47009 SureChEMBL
24774994 PubChem: Thomson Pharma
502703 eMolecules
19814-75-6 ACToR
30101735 NMRShiftDB
MCULE-7056512116 Mcule
606997 PubChem
CB0783558 ChemicalBook
ZINC000001081165 ZINC
J784.399B Nikkaji
DTXSID00345781 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.