Dataset

heteronuclear single quantum coherence (HSQC)

Chemical Info

InChI	InChI=1S/C17H18N6/c1-3-4-5-15-12-22(21-19-15)17-10-13(2)23(20-17)16-8-6-14(11-18)7-9-16/h6-10,12H,3-5H2,1-2H3
SMILES	CCCCc1nnn(c1)c1nn(c(c1)C)c1ccc(cc1)C#N
InChI Key	WZTARLNNZGQBDW-UHFFFAOYSA-N
Exact Mass	306.365 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WZTARLNNZGQBDW-UHFFFAOYSA-N/CHMO0000604
License URL
Source	https://www.chemotion-repository.net/inchikey/WZTARLNNZGQBDW-UHFFFAOYSA-N/CHMO0000604
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:25:44.068764
MetadataModified	2024-09-23T09:22:01.598440
MetadataPublished	2024-02-14

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	temperature : 300.0 K PULPROG : hsqcedetgp number of scans : 2 scans title : SG-V4003 (7-12) date : 20231024 starting time : 19.24 h instrument : spect label : SG-3383 id : 280409 Solvent : chloroform-D1 (CDCl3)

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