p-Phenylphenacyl[3,3'-bis(13C),3,3,3,3',3',3'-hexadeuterio]isobutyrate

SpectraBase Compound ID	IQNDItazoPQ
InChI	InChI=1S/C18H18O3/c1-13(2)18(20)21-12-17(19)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3/i1+1D3,2+1D3
InChIKey	RSVQLPPONUWMGZ-KLFIIISESA-N Google Search
Mol Weight	290.36 g/mol
Molecular Formula	C1613C2H12D6O3
Exact Mass	290.169965 g/mol

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SpectraBase Spectrum ID	Hlyfm4iUp2n
Name	p-Phenylphenacyl[3,3'-bis(13C),3,3,3,3',3',3'-hexadeuterio]isobutyrate
Comments	Original formula: C16[13C]2H12D6O3
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H18O3
InChI	InChI=1S/C18H18O3/c1-13(2)18(20)21-12-17(19)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3/i1+1D3,2+1D3
InChIKey	RSVQLPPONUWMGZ-KLFIIISESA-N
Molecular Weight	290.360 g/mol
SMILES	C([13C]([D])([D])[D])([13C]([D])([D])[D])C(OCC(c1ccc(cc1)-c1ccccc1)=O)=O
SPLASH	splash10-001i-0900000000-7359226d1e97b757f915
Source of Spectrum	KC-1988-3204-0
Synonyms	Propanoic-3-¹³C-3,3,3-D3 acid, 2-(methyl-¹³C-D3)-, 2-[1,1'-biphenyl]-4-yl-2-oxoethyl ester p-Phenylphenacyl[3,3'-bis(¹³C),3,3,3,3',3',3'-hexadeuterio]isobutyrate
Wiley ID	1286277