Molecule

hexane-1,6-diol

Chemical Information

Molecular Image

InChI	InChI=1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2
SMILES	OCCCCCCO
InChI Key	XXMIOPMDWAUFGU-UHFFFAOYSA-N
Exact Mass	118.174 g/mol

9 Related Dataset(s) ⌄

1,6-HEXANEDIOL; EI-B; MS

1,6-HEXANEDIOL; EI-B; MS

13C nuclear magnetic resonance spectroscopy (13C NMR)

1H nuclear magnetic resonance spectroscopy (1H NMR)

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

correlation spectroscopy (COSY)

distortionless enhancement with polarization transfer (DEPT)

distortionless enhancement with polarization transfer (DEPT)

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol7402
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
DB02210	drugbank
CHEBI:43078	chebi
HEZ	rcsb_pdb
CHEMBL458616	chembl
15343	surechembl
12374	pubchem
PD008131	probes_and_drugs
FECCOF	CCDC
29252	brenda
49110	brenda
HEZ	pdbe
ZIA319275I	fdasrs
DTXSID1027265	comptox
Molport-001-012-388	molport
The data in this table is sourced from UniChem at EBI.