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3-Phenylenanthic acid methyl ester
SpectraBase Compound ID 4tSU6LETLCI
InChI InChI=1S/C14H20O2/c1-3-4-8-13(11-14(15)16-2)12-9-6-5-7-10-12/h5-7,9-10,13H,3-4,8,11H2,1-2H3
InChIKey XPDDRXJDEIRDJY-UHFFFAOYSA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DXDmFhjirLb
Name 3-Phenylenanthic acid methyl ester
CAS Registry Number 64199-01-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-3-4-8-13(11-14(15)16-2)12-9-6-5-7-10-12/h5-7,9-10,13H,3-4,8,11H2,1-2H3
InChIKey XPDDRXJDEIRDJY-UHFFFAOYSA-N
Molecular Weight 220.312 g/mol
SMILES C(CC(c1ccccc1)CCCC)(=O)OC
SPLASH splash10-014i-0910000000-4bb5c505be4bd70abc00
Source of Spectrum C-118-552-11
Synonyms 3-Phenylheptanoic acid methyl ester Methyl 3-phenylheptanoate
Wiley ID 759519