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MONASPILOSIN;PHENYLACETIC-ACID-2-(4-HYDROXYPHENYL)-ETHYLESTER
SpectraBase Compound ID A8fUhdGun8Q
InChI InChI=1S/C16H16O3/c17-15-8-6-13(7-9-15)10-11-19-16(18)12-14-4-2-1-3-5-14/h1-9,17H,10-12H2
InChIKey LEHFWRIESDDBMM-UHFFFAOYSA-N
Mol Weight 256.3 g/mol
Molecular Formula C16H16O3
Exact Mass 256.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AAWSFiJ7bQK
Name 2-(4-Hydroxyphenyl)ethyl phenylacetate
Alternate Name(s) Monaspilosin
Appearance Colourless wax
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Formula C16H16O3
InChI InChI=1S/C16H16O3/c17-15-8-6-13(7-9-15)10-11-19-16(18)12-14-4-2-1-3-5-14/h1-9,17H,10-12H2
InChIKey LEHFWRIESDDBMM-UHFFFAOYSA-N
Instrument Name Finnigan MAT-90
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.9.179
Molecular Weight 256.301 g/mol
Reported Formula C16H16O3
SMILES Oc1ccc(cc1)CCOC(Cc1ccccc1)=O
SPLASH splash10-00dl-4900000000-a386c82054016db78d4e
Source of Spectrum BJO-9-SM13-55
Thin-Layer Chromatography Rf = 0.24 (hexanes/EtOAc, 3:1)
Wiley ID 1853740