Molecule

4-methoxybenzaldehyde

Chemical Information

Molecular Image

InChI	InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
SMILES	COc1ccc(cc1)C=O
InChI Key	ZRSNZINYAWTAHE-UHFFFAOYSA-N
Exact Mass	136.148 g/mol

18 Related Dataset(s) ⌄

13C nuclear magnetic resonance spectroscopy (13C NMR)

13C nuclear magnetic resonance spectroscopy (13C NMR)

1H nuclear magnetic resonance spectroscopy (1H NMR)

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

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

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

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

1H--1H correlation spectroscopy (1H-1H COSY)

1H--1H correlation spectroscopy (1H-1H COSY)

4-METHOXYBENZALDEHYDE; EI-B; MS

4-METHOXYBENZALDEHYDE; EI-B; MS

4-Methoxybenzaldehyde; LC-ESI-QTOF; MS2; CE: 15.00; [M+H]+

ANISALDEHYDE; EI-B; MS

Anisaldehyde; LC-ESI-QTOF; MS2; CE: 50eV; [M+H]+

nuclear magnetic resonance spectroscopy (NMR)

PARA-ANISALDEHYDE; EI-B; MS

PARA-METHOXYBENZALDEHYDE; EI-B; MS

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol2554
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
CHEBI:28235	chebi
CHEMBL161598	chembl
1100	surechembl
31244	pubchem
9PA5V6656V	fdasrs
PD000895	probes_and_drugs
YADJIY	CCDC
1016	brenda
124483	brenda
137028	brenda
137101	brenda
14732	brenda
2471	brenda
4039	brenda
55802	brenda
8164	brenda
HMDB0029686	hmdb
DTXSID2026997	comptox
FDB000872	foodb
Molport-000-871-198	molport
50139370	bindingdb
The data in this table is sourced from UniChem at EBI.