Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C9H10O3/c1-6-3-8(11)5-9(4-6)12-7(2)10/h3-5,11H,1-2H3
SMILES CC(=O)Oc1cc(C)cc(c1)O
InChI Key WNNFOAQKFKIJQP-UHFFFAOYSA-N
Exact Mass 166.174 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WNNFOAQKFKIJQP-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/WNNFOAQKFKIJQP-UHFFFAOYSA-N/CHMO0000601
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T02:15:16.833816
MetadataModified 2024-09-23T09:21:46.371158
MetadataPublished 2024-01-19
Field Value
Measurement Technique heteronuclear multiple bond coherence
Measurement Variables
temperature : 300.0 K

PULPROG : hmbcgpndqf

number of scans : 8 scans

title : SG-v4016 (8-15)

date : 20231107

starting time : 0.41 h

instrument : spect

label : SG-3399

id : 281949

Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
22722640 PubChem
J152.643J Nikkaji
SCHEMBL6749439 SureChEMBL
The data in this table is sourced from UniChem at EBI.