Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C11H12BrNO3/c1-7-4-9(12)11(5-10(7)13(14)15)16-6-8-2-3-8/h4-5,8H,2-3,6H2,1H3
SMILES	Brc1cc(C)c(cc1OCC1CC1)[N+](=O)[O-]
InChI Key	KGOQROKYWCORHX-UHFFFAOYSA-N
Molecular Formula	C11H12BrNO3
Exact Mass	286.122 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/KGOQROKYWCORHX-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/KGOQROKYWCORHX-UHFFFAOYSA-N/CHMO0000593
Version
Author	Niklas Krappel
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:21:22.940110
MetadataModified	2024-09-08T01:21:22.940115
MetadataPublished	2023-07-31

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.