Dataset

ps.nie7074.CBT1886_F10_p2.220701_cmp4_manus[2]

Chemical Information

InChI	InChI=1S/C17H7Br4N3/c18-8-1-3-13-10(5-8)12(7-22)17(23-13)24-14-4-2-9(19)6-11(14)15(20)16(24)21/h1-6,23H
SMILES	N#CC1=C(N2C(Br)=C(Br)C3=C2C=CC(Br)=C3)NC2=C1C=C(Br)C=C2
InChI Key	DVMLGFNWBPSSPN-UHFFFAOYSA-N

Data and Resources

• ps.nie7074.CBT1886_F10_p2.220701_cmp4_manus[2]HTML
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• heteronuclear-multi...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p91.s823.d4068
License URL	https://creativecommons.org/licenses/by-sa/4.0/legalcode
Source	https://nmrxiv.org/D4068
Version
Author
Maintainer
Language	english
MetadataPublished	2025-02-06T13:54:45.000000Z
Related Molecule

Field	Value
Measurement Technique	heteronuclear multiple quantum coherence
Measurement Variables	NMR solvent : DMSO acquisition nucleus : ['1H', '13C'] NMR spectrum by dimensionality : 2 NMR probe : Z132083_0005 (CP QCI 600S3 H/P/C-N-D-05 Z) Temperature : 299.9993 K magnetic field strength : 14.095010340939984 Tesla number of scans : 8 scans nuclear magnetic resonance pulse sequence : MFhmqceaf2 Spectral Width : [16.662978010996, 161.615899400079] number of data points : 4 points relaxation time measurement : 1.3 seconds

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