Dataset

heteronuclear single quantum coherence (HSQC)

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

Chemical Info

molecular Image
InChI InChI=1S/C9H9BrO/c1-7-2-4-8(5-3-7)9(11)6-10/h2-5H,6H2,1H3
SMILES BrCC(=O)c1ccc(cc1)C
InChI Key KRVGXFREOJHJAX-UHFFFAOYSA-N
Exact Mass 213.071 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KRVGXFREOJHJAX-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/KRVGXFREOJHJAX-UHFFFAOYSA-N/CHMO0000604
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:37:02.751991
MetadataModified 2024-09-23T09:27:01.296076
MetadataPublished 2024-08-30
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