Dataset

30e[32]

Chemical Information

InChI	InChI=1S/C7H8BrNO2S/c1-9-12(10,11)7-4-2-6(8)3-5-7/h2-5,9H,1H3
SMILES	CNS(=O)(=O)C1=CC=C(Br)C=C1
InChI Key	ZAHMEHGOFNLRQN-UHFFFAOYSA-N

Data and Resources

• 30e[32]HTML
  Go to source

• 1h-nuclear-magnetic...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p105.s1097.d4831
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D4831
Version
Author
Maintainer
Language	english
MetadataPublished
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['1H'] NMR spectrum by dimensionality : 1 NMR probe : Z116098_0618 (PA BBO 400S1 BBF-H-D-05 Z SP) Temperature : 298.1599 K magnetic field strength : 9.398161044985478 Tesla number of scans : 128 scans nuclear magnetic resonance pulse sequence : zg30 Spectral Width : 30.0366276301356 number of data points : 9 points relaxation time measurement : 0.1 seconds

Data-Source Molecule ID	Data-Source
MCULE-7503217997	Mcule
101215	PubChem
703-12-8	ACToR
2796968	eMolecules
SCHEMBL620156	SureChEMBL
DTXSID20220566	EPA CompTox Dashboard
J62.169B	Nikkaji
ZINC000001508382	ZINC
CB6289966	ChemicalBook
The data in this table is sourced from UniChem at EBI.