Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C12H13NO/c1-2-9(1)8-14-11-4-3-10-5-6-13-12(10)7-11/h3-7,9,13H,1-2,8H2
SMILES c1cc2c([nH]1)cc(cc2)OCC1CC1
InChI Key KWWQWJXYRBIHSZ-UHFFFAOYSA-N
Molecular Formula C12H13NO
Exact Mass 187.238 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KWWQWJXYRBIHSZ-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/KWWQWJXYRBIHSZ-UHFFFAOYSA-N/CHMO0001150
Version
Author Niklas Krappel
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:18:08.460272
MetadataModified 2024-09-08T01:18:08.460277
MetadataPublished 2023-07-31
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL19510727 SureChEMBL
132051809 PubChem
The data in this table is sourced from UniChem at EBI.