Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C20H20BrNO3/c21-16-8-4-9-17-15(16)12-18(19-10-5-11-24-19)22(17)20(23)25-13-14-6-2-1-3-7-14/h1-7,9-11,15-18H,8,12-13H2/t15-,16?,17+,18+/m1/s1
SMILES	BrC1CC=C[C@H]2[C@@H]1C[C@H](N2C(=O)OCc1ccccc1)c1ccco1
InChI Key	YZIVJRPJMXCFQS-VGKGQJMESA-N
Molecular Formula	C20H20BrNO3
Exact Mass	402.282 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/YZIVJRPJMXCFQS-VGKGQJMESA-N/NMR/1H/CDCl3/400
License URL
Source	https://www.chemotion-repository.net/inchikey/YZIVJRPJMXCFQS-VGKGQJMESA-N/NMR/1H/CDCl3/400
Version
Author	Paul Sauter
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:58:19.854902
MetadataModified	2024-09-07T13:23:37.698853
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
73427491	PubChem
The data in this table is sourced from UniChem at EBI.