Dataset

heteronuclear multiple bond coherence (HMBC)

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

Chemical Info

molecular Image
InChI InChI=1S/C12H9NO/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H
SMILES c1ccc2c(c1)Oc1c(N2)cccc1
InChI Key TZMSYXZUNZXBOL-UHFFFAOYSA-N
Exact Mass 183.206 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/TZMSYXZUNZXBOL-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/TZMSYXZUNZXBOL-UHFFFAOYSA-N/CHMO0000601
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:58:15.709257
MetadataModified 2024-09-23T09:25:21.666937
MetadataPublished 2024-07-01
Field Value
Measurement Technique heteronuclear multiple bond coherence
Measurement Variables
temperature : 300.0 K

PULPROG : hmbcgpndqf

number of scans : 8 scans

title : FAS-10H-Phenoxazine

date : 20240525

starting time : 9.05 h

instrument : spect

label : FAS-126

id : 117351

Solvent : DMSO

Data-Source Molecule ID Data-Source
10016276 NMRShiftDB
SCHEMBL7862 SureChEMBL
MCULE-1555650829 Mcule
67278 PubChem
493108 eMolecules
CHEMBL276850 ChEMBL
15322123 PubChem: Thomson Pharma
C2ZWT499SG FDA SRS
161771 Brenda
CB7329656 ChemicalBook
PD131184 ProbesDrugs
135-67-1 ACToR
LSM-4657 LINCS
94057 ChEBI
DTXSID10159199 EPA CompTox Dashboard
J1.512A Nikkaji
HMDB0256415 Human Metabolome Database
50012827 BindingDB
ZINC000000120208 ZINC
VANVAL CCDC
The data in this table is sourced from UniChem at EBI.