Dataset

heteronuclear single quantum coherence (HSQC)

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

Chemical Info

molecular Image
InChI InChI=1S/C12H11BrO5/c1-7(14)17-9-3-4-10(11(16)6-13)12(5-9)18-8(2)15/h3-5H,6H2,1-2H3
SMILES BrCC(=O)c1ccc(cc1OC(=O)C)OC(=O)C
InChI Key CHFUQFPYYGWTKR-UHFFFAOYSA-N
Exact Mass 315.117 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CHFUQFPYYGWTKR-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/CHFUQFPYYGWTKR-UHFFFAOYSA-N/CHMO0000604
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:35:05.557596
MetadataModified 2024-09-23T09:26:51.584999
MetadataPublished 2024-08-30
Field Value
Measurement Technique heteronuclear single quantum coherence
Measurement Variables
temperature : 300.1 K

PULPROG : hsqcedetgp

number of scans : 2 scans

title : SG-V4143 HPLC

date : 20240307

starting time : 19.04 h

instrument : spect

label : SG-3563

id : 297341

Solvent : chloroform-D1 (CDCl3)