Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C9H15Br2NO/c1-8(2)6(10)5(13)7(11)9(3,4)12-8/h6-7,12H,1-4H3
SMILES BrC1C(=O)C(Br)C(NC1(C)C)(C)C
InChI Key SMSQRKIBWOTIMI-UHFFFAOYSA-N
Molecular Formula C9H15Br2NO
Exact Mass 313.029 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SMSQRKIBWOTIMI-UHFFFAOYSA-N/NMR/13C/DMSO/100
License URL
Source https://www.chemotion-repository.net/inchikey/SMSQRKIBWOTIMI-UHFFFAOYSA-N/NMR/13C/DMSO/100
Version
Author Isabelle Wessely
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:57:58.385787
MetadataModified 2024-09-07T13:23:06.123734
MetadataPublished 2014-05-27
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
57167-75-6 ACToR
7536785 eMolecules
DTXSID60275858 EPA CompTox Dashboard
J276.351F Nikkaji
SCHEMBL9596969 SureChEMBL
MCULE-7918432736 Mcule
89252 PubChem
The data in this table is sourced from UniChem at EBI.