Dataset

heteronuclear single quantum coherence (HSQC)

dataset for heteronuclear single quantum coherence (HSQC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C10H9BrO4/c1-6(12)15-9-4-2-3-7(13)10(9)8(14)5-11/h2-4,13H,5H2,1H3
SMILES BrCC(=O)c1c(cccc1O)OC(=O)C
InChI Key GHBMCQRVMQONSY-UHFFFAOYSA-N
Exact Mass 273.080 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GHBMCQRVMQONSY-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/GHBMCQRVMQONSY-UHFFFAOYSA-N/CHMO0000604
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:37:42.101511
MetadataModified 2024-09-23T09:27:04.642488
MetadataPublished 2024-08-30
Field Value
Measurement Technique heteronuclear single quantum coherence
Measurement Variables
temperature : 300.0 K

PULPROG : hsqcedetgp

number of scans : 2 scans

title : SG-V4133 (8-13)

date : 20240228

starting time : 6.16 h

instrument : spect

label : SG-3570

id : 297713

Solvent : chloroform-D1 (CDCl3)