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3-(3,5-ditert-butyl-4-hydroxy-phenyl)propionic acid methyl ester
SpectraBase Compound ID FIiB5Pp8sWr
InChI InChI=1S/C18H28O3/c1-17(2,3)13-10-12(8-9-15(19)21-7)11-14(16(13)20)18(4,5)6/h10-11,20H,8-9H2,1-7H3
InChIKey PXMJCECEFTYEKE-UHFFFAOYSA-N
Mol Weight 292.42 g/mol
Molecular Formula C18H28O3
Exact Mass 292.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HY2N4wBwmq8
Name methyl 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoate
Carrier Gas Helium (1 ml/min)
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Exact Mass 292.203844759 u
Formula C18H28O3
GC Column (30 m x 0.32 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 270oC
InChI InChI=1S/C18H28O3/c1-17(2,3)13-10-12(8-9-15(19)21-7)11-14(16(13)20)18(4,5)6/h10-11,20H,8-9H2,1-7H3
InChIKey PXMJCECEFTYEKE-UHFFFAOYSA-N
Instrument Name Varian model 3500
Ionization Type EI
Literature Reference DOI 10.1002/jhrc.1240140509
Quality 521
SMILES OC1=C(C=C(C=C1C(C)(C)C)CCC(OC)=O)C(C)(C)C
SPLASH splash10-004i-9340000000-91bf06de440c1da029b2
Source of Spectrum HRC-14-341-Component 11 (DOI: 10.1002/jhrc.1240140509)
Wiley ID 1910754