Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C9H6BrNO2/c10-5-3-7(9(12)13)6-1-2-11-8(6)4-5/h1-4,11H,(H,12,13)
SMILES Brc1cc(C(=O)O)c2c(c1)[nH]cc2
InChI Key LIXZNRVUWPYCNC-UHFFFAOYSA-N
Molecular Formula C9H6BrNO2
Exact Mass 240.053 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LIXZNRVUWPYCNC-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/LIXZNRVUWPYCNC-UHFFFAOYSA-N/CHMO0000593
Version
Author Niklas Krappel
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:10:42.163118
MetadataModified 2024-09-08T01:10:42.163122
MetadataPublished 2023-07-31
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