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3-Hydroxy-2-oxo-3-phenylbutyl benzoate
SpectraBase Compound ID HNIoZX2AeZ3
InChI InChI=1S/C17H16O4/c1-17(20,14-10-6-3-7-11-14)15(18)12-21-16(19)13-8-4-2-5-9-13/h2-11,20H,12H2,1H3
InChIKey VJQQHBLWCLMSRI-UHFFFAOYSA-N
Mol Weight 284.31 g/mol
Molecular Formula C17H16O4
Exact Mass 284.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2AjXA1aaB9v
Name 3-Hydroxy-2-oxo-3-phenylbutyl benzoate
Appearance Colorless oil
Carrier Gas helium
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Exact Mass 284.104858991 u
Formula C17H16O4
GC Oven Program Oven temp 250oC
InChI InChI=1S/C17H16O4/c1-17(20,14-10-6-3-7-11-14)15(18)12-21-16(19)13-8-4-2-5-9-13/h2-11,20H,12H2,1H3
InChIKey VJQQHBLWCLMSRI-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP5050A
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201901226
Quality 149
SMILES OC(C1=CC=CC=C1)(C(=O)COC(C=1C=CC=CC1)=O)C
SPLASH splash10-05fu-7900000000-f9112e0b5c36886490ad
Source of Spectrum K1-2019-SM6-3e (DOI: 10.1002/ejoc.201901226)
Wiley ID 1892273