Dataset

ps.nie7271.CBT1886_F7_F8_p2.230215_cmp2_manus[6]

Chemical Information

InChI	InChI=1S/C9H4BrIN2/c10-8-2-6(11)1-7-5(3-12)4-13-9(7)8/h1-2,4,13H
SMILES	N#CC1=CNC2=C(Br)C=C(I)C=C12
InChI Key	VTLHGNUIYQSWHB-UHFFFAOYSA-N

Data and Resources

• ps.nie7271.CBT1886_F7_F8_p2.230215_cmp2_manus[6]HTML
  Go to source

• heteronuclear-multi...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p91.s822.d4063
License URL	https://creativecommons.org/licenses/by-sa/4.0/legalcode
Source	https://nmrxiv.org/D4063
Version
Author
Maintainer
Language	english
MetadataPublished	2025-02-06T13:54:45.000000Z
Related Molecule

Field	Value
Measurement Technique	heteronuclear multiple bond coherence
Measurement Variables	NMR solvent : DMSO acquisition nucleus : ['1H', '13C'] NMR spectrum by dimensionality : 2 NMR probe : Z75812_0039 (CP TCI 600S3 H-C/N-D-05 Z) Temperature : 300 K magnetic field strength : 14.09618467069695 Tesla number of scans : 256 scans nuclear magnetic resonance pulse sequence : MFhmbceaf2 Spectral Width : [16.6615898802302, 100.38637968659] number of data points : 22 points relaxation time measurement : 1.3 seconds

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