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/C10H15NO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,11H2,1-3H3
SMILES Oc1ccc(cc1N)C(C)(C)C
InChI Key RPJUVNYXHUCRMG-UHFFFAOYSA-N
Molecular Formula C10H15NO
Exact Mass 165.232 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RPJUVNYXHUCRMG-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/RPJUVNYXHUCRMG-UHFFFAOYSA-N/CHMO0001148
Version
Author Jana Alpin
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:22:58.956973
MetadataModified 2024-09-08T03:22:58.956980
MetadataPublished 2024-04-26
Field Value
Measurement Technique 1H–13C heteronuclear multiple bond coherence
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL621595 SureChEMBL
70982 PubChem
1199-46-8 ACToR
28021LMQ3D FDA SRS
16093576 PubChem: Thomson Pharma
20040391 NMRShiftDB
J31.051D Nikkaji
MCULE-7201864777 Mcule
ZINC000003074877 ZINC
DTXSID60152615 EPA CompTox Dashboard
41210 BindingDB
CB6678553 ChemicalBook
CHEMBL1321329 ChEMBL
487192 eMolecules
The data in this table is sourced from UniChem at EBI.