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(S)-Ethyl 2-(4-bromo-3-methyl-phenoxy)-3-phenylpropanoate
SpectraBase Compound ID DgkLVbZODWe
InChI InChI=1S/C18H19BrO3/c1-3-21-18(20)17(12-14-7-5-4-6-8-14)22-15-9-10-16(19)13(2)11-15/h4-11,17H,3,12H2,1-2H3/t17-/m0/s1
InChIKey ZKVKHEDWJUVJTC-KRWDZBQOSA-N
Mol Weight 363.25 g/mol
Molecular Formula C18H19BrO3
Exact Mass 362.051757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3gfbiiDspmQ
Name (S)-Ethyl 2-(4-bromo-3-methyl-phenoxy)-3-phenylpropanoate
Appearance Pale yellow oil
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Formula C18H19BrO3
InChI InChI=1S/C18H19BrO3/c1-3-21-18(20)17(12-14-7-5-4-6-8-14)22-15-9-10-16(19)13(2)11-15/h4-11,17H,3,12H2,1-2H3/t17-/m0/s1
InChIKey ZKVKHEDWJUVJTC-KRWDZBQOSA-N
Instrument Name HP GC/MS 6890-5973 MSD
Ionization Type EI
Literature Reference DOI 10.1021/jm301018z
Molecular Weight 363.251 g/mol
SMILES C(C)OC([C@](Cc1ccccc1)(Oc1cc(c(cc1)Br)C)[H])=O
SPLASH splash10-03g0-0906000000-252a685af8709112db34
Source of Spectrum AF-56-SM2-20e
Wiley ID 1854371