Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C16H17ClN6O2/c1-3-4-5-12-10-21(20-18-12)16-8-11(2)22(19-16)15-7-6-13(23(24)25)9-14(15)17/h6-10H,3-5H2,1-2H3
SMILES CCCCc1nnn(c1)c1nn(c(c1)C)c1ccc(cc1Cl)[N+](=O)[O-]
InChI Key JCVTZTZCOPFHML-UHFFFAOYSA-N
Molecular Formula C16H17ClN6O2
Exact Mass 360.798 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JCVTZTZCOPFHML-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/JCVTZTZCOPFHML-UHFFFAOYSA-N/CHMO0000601
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T02:39:25.345032
MetadataModified 2024-09-08T02:39:25.345037
MetadataPublished 2024-02-14
Field Value
Measurement Technique heteronuclear multiple bond coherence
Measurement Variables