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/C13H13NO2/c1-15-11-6-8-13(9-7-11)16-12-4-2-10(14)3-5-12/h2-9H,14H2,1H3
SMILES COc1ccc(cc1)Oc1ccc(cc1)N
InChI Key VTYZDTAGEMAJMM-UHFFFAOYSA-N
Exact Mass 215.248 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VTYZDTAGEMAJMM-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/VTYZDTAGEMAJMM-UHFFFAOYSA-N/CHMO0000595
Version
Author Jana Alpin
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:32:54.069361
MetadataModified 2024-09-23T09:26:38.859434
MetadataPublished 2024-08-26
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Temperature : 300.0 K K

Puls programme : zgpg30

Number of scans : 1024

Title : CCP-3708 DMSO

Date : 20240608

Start time : 19.20 h

Instrument : spect

Label : JAL-47

ID : 118092

Solvent : DMSO

Temperature : 300.0 K K

Puls programme : zgpg30

Number of scans : 1024

Title : CCP-3708 CDCl3

Date : 20240608

Start time : 8.59 h

Instrument : spect

Label : JAL-47

ID : 118092

Solvent : chloroform-D1 (CDCl3)