Dataset

ps.nie7182.CBT1886_F14_p3.221018_cmp5_dNAETX_manus[3]

Chemical Information

InChI	InChI=1S/C16H7Br5N2/c17-8-1-2-12-10(5-8)14(20)16(21)23(12)13-4-7-3-9(18)6-11(19)15(7)22-13/h1-6,22H
SMILES	BrC1=CC(Br)=C2NC(N3C(Br)=C(Br)C4=C3C=CC(Br)=C4)=CC2=C1
InChI Key	ZPQSZEQOCKSJHO-UHFFFAOYSA-N

Data and Resources

• ps.nie7182.CBT1886_F14_p3.221018_cmp5_dNAETX_manus[3]HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p91.s820.d4052
License URL	https://creativecommons.org/licenses/by-sa/4.0/legalcode
Source	https://nmrxiv.org/D4052
Version
Author
Maintainer
Language	english
MetadataPublished	2025-02-06T13:54:45.000000Z
Related Molecule

Field	Value
Measurement Technique
Measurement Variables	NMR solvent : DMSO acquisition nucleus : ['13C'] NMR spectrum by dimensionality : 1 NMR probe : Z44896_0002 (CP TCI 600S3 H-C/N-D-05 Z) Temperature : 300.0015 K magnetic field strength : 14.09318192464244 Tesla number of scans : 16384 scans nuclear magnetic resonance pulse sequence : MFhetero1d Spectral Width : 207.04944594529 number of data points : 26 points relaxation time measurement : 2 seconds

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