Molecule

hept-1-ene

Chemical Information

Molecular Image

InChI	InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3
SMILES	CCCCCC=C
InChI Key	ZGEGCLOFRBLKSE-UHFFFAOYSA-N
Exact Mass	98.186 g/mol

8 Related Dataset(s) ⌄

1-HEPTENE; CI-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-mol6928
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
CHEBI:186747	chebi
LMFA11000319	lipidmaps
1592350	surechembl
22178	surechembl
11610	pubchem
O748KJ11V7	fdasrs
164404	brenda
175074	brenda
DTXSID2060466	comptox
Molport-001-756-619	molport
The data in this table is sourced from UniChem at EBI.