Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C19H20O/c1-12-6-5-9-15-13-7-3-4-8-14(13)16-10-11-17(20)19(16,2)18(12)15/h3-9,16-17,20H,10-11H2,1-2H3/t16-,17+,19-/m1/s1
SMILES Cc1cccc2-c3ccccc3[C@@H]3[C@](c12)(C)[C@@H](O)CC3
InChI Key LWCFEJXBJXXTCP-ZIFCJYIRSA-N
Exact Mass 264.362 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LWCFEJXBJXXTCP-ZIFCJYIRSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/LWCFEJXBJXXTCP-ZIFCJYIRSA-N/CHMO0000593
Version
Author Thorsten Bach
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-11-24
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Date : 2025-04-23

Starting time : 08:19:05 UTC

Creator : Chemotion Initiative

label : DGR-466

id : 146584

Solvent used for referencing : CDCl3

temperature : 298.0002 K

PULPROG : zg30

number of scans : 16 scans

instrument : spect

Name : Parameter file, TOPSPIN Version 3.2.b.73

Version : Parameter file, TOPSPIN Version 3.2.b.73

Data-Source Molecule ID Data-Source
No additional information available for this Dataset.