Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H 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-TXEJJXNPSA-N
Molecular Formula C12H16O
Exact Mass 176.255 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YVVUSIMLVPJXMY-TXEJJXNPSA-N/NMR/1H/CDCl3/400
License URL
Source https://www.chemotion-repository.net/inchikey/YVVUSIMLVPJXMY-TXEJJXNPSA-N/NMR/1H/CDCl3/400
Version
Author Stephanie Lindner
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:59:52.547833
MetadataModified 2024-09-07T13:25:53.471488
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000101003432 ZINC
VIXYOU CCDC
J81.372I Nikkaji
CB82424738 ChemicalBook
15995891 PubChem: Thomson Pharma
SCHEMBL6583115 SureChEMBL
The data in this table is sourced from UniChem at EBI.