Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C16H14Br2/c17-15-9-11-1-2-12-4-6-14(16(18)10-12)8-7-13(15)5-3-11/h3-6,9-10H,1-2,7-8H2
SMILES Brc1cc2CCc3ccc(CCc1cc2)c(c3)Br
InChI Key YTVHCBMSDDDSSN-UHFFFAOYSA-N
Molecular Formula C16H14Br2
Exact Mass 366.090 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YTVHCBMSDDDSSN-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/YTVHCBMSDDDSSN-UHFFFAOYSA-N/CHMO0000593
Version
Author Yichuan Wang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:21:57.348270
MetadataModified 2024-09-07T22:00:23.400731
MetadataPublished 2022-03-28
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
VIXHAL CCDC
J1.879.185D Nikkaji
20181412 NMRShiftDB
16051060 PubChem: Thomson Pharma
10992162 PubChem
The data in this table is sourced from UniChem at EBI.