bmse010217 Anisole at BMRB

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Anisole

Anisole
bmse010217 - data

Anisole

Anisole; Methoxybenzene

Molecular Formula: C7 H8 O
Natural Isotopic Abundance Mass: 108.13782
Mono-Isotopic Molecular Masses: C12N14: 108.0575148789; C13N14: 115.0809987435; C12N15: 108.0575148789; C13N15: 115.0809987435

Anisole

InCHi String:
InChI=1/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3

Canonical and Isomeric SMILES:
COC1=CC=CC=C1

Beilstein
Anisole

PubChem Substance (SID):   111678053
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 54
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.