Dataset

heteronuclear multiple bond coherence (HMBC)

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

Chemical Info

molecular Image
InChI InChI=1S/C12H18BNO2/c1-11(2)12(3,4)16-13(15-11)9-7-5-6-8-10(9)14/h5-8H,14H2,1-4H3
SMILES Nc1ccccc1B1OC(C(O1)(C)C)(C)C
InChI Key ZCJRWQDZPIIYLM-UHFFFAOYSA-N
Molecular Formula C12H18BNO2
Exact Mass 219.088 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZCJRWQDZPIIYLM-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/ZCJRWQDZPIIYLM-UHFFFAOYSA-N/CHMO0000601
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-01-29T10:57:07.893810
MetadataModified 2025-01-29T16:48:46.312603
MetadataPublished 2024-12-09
Field Value
Measurement Technique heteronuclear multiple bond coherence
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL168780 SureChEMBL
191171-55-8 ACToR
523128 eMolecules
15538373 PubChem: Thomson Pharma
J1.486.110F Nikkaji
AVALEP CCDC
2734652 PubChem
DTXSID50370422 EPA CompTox Dashboard
CB7251887 ChemicalBook
ZINC000169743296 ZINC
The data in this table is sourced from UniChem at EBI.