Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C18H21BrN4O2/c1-18(2,3)22-17-16(21-15-10-20-6-7-23(15)17)11-8-13(24-4)14(25-5)9-12(11)19/h6-10,22H,1-5H3
SMILES COc1cc(c(cc1OC)Br)c1nc2n(c1NC(C)(C)C)ccnc2
InChI Key BXFGUOURKQXMMO-UHFFFAOYSA-N
Molecular Formula C18H21BrN4O2
Exact Mass 405.289 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BXFGUOURKQXMMO-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/BXFGUOURKQXMMO-UHFFFAOYSA-N/CHMO0001148
Version
Author Mareen Stahlberger
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T08:16:16.216778
MetadataModified 2024-09-08T00:13:32.706695
MetadataPublished 2023-01-23
Field Value
Measurement Technique 1H–13C heteronuclear multiple bond coherence
Measurement Variables
Data-Source Molecule ID Data-Source
166451856 PubChem
The data in this table is sourced from UniChem at EBI.