Dataset

ps.nie7182.CBT1886_F14_p3.221018_cmp5_dNAETX_manus[7]

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[7]HTML
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• heteronuclear-singl...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p91.s820.d4056
License URL	https://creativecommons.org/licenses/by-sa/4.0/legalcode
Source	https://nmrxiv.org/D4056
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Author
Maintainer
Language	english
MetadataPublished	2025-02-06T13:54:45.000000Z
Related Molecule

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	NMR solvent : DMSO acquisition nucleus : ['1H', '13C'] NMR spectrum by dimensionality : 2 NMR probe : Z44896_0002 (CP TCI 600S3 H-C/N-D-05 Z) Temperature : 299.9996 K magnetic field strength : 14.09618467069695 Tesla number of scans : 32 scans nuclear magnetic resonance pulse sequence : MFhsqceaclipcosyf2 Spectral Width : [16.6615898802302, 165.642135823888] number of data points : 2 points relaxation time measurement : 1.3 seconds

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