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/C12H16O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11-13H,6-9H2/t11-,12-
SMILES O[C@@H]1CC[C@H](CC1)c1ccccc1
InChI Key YVVUSIMLVPJXMY-HAQNSBGRSA-N
Molecular Formula C12H16O
Exact Mass 176.255 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YVVUSIMLVPJXMY-HAQNSBGRSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/YVVUSIMLVPJXMY-HAQNSBGRSA-N/NMR/13C/CDCl3/100
Version
Author Stephanie Lindner
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:00:17.854460
MetadataModified 2024-09-07T13:26:33.320486
MetadataPublished 2014-05-27
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
20242125 NMRShiftDB
J81.090H Nikkaji
UNEJUV CCDC
ZINC000148128423 ZINC
16902509 PubChem: Thomson Pharma
SCHEMBL2778652 SureChEMBL
The data in this table is sourced from UniChem at EBI.