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Propanoic-1,3-13C2 acid, 2-(methyl-13C)-, 2-[1,1'-biphenyl]-4-yl-2-oxoethyl ester
SpectraBase Compound ID HmHDuHDf5NN
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+1,2+1,18+1
InChIKey RSVQLPPONUWMGZ-VEILVOAMSA-N
Mol Weight 285.32 g/mol
Molecular Formula C1513C3H18O3
Exact Mass 285.135659 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4zv8X6mSBSr
Name Propanoic-1,3-13C2 acid, 2-(methyl-13C)-, 2-[1,1'-biphenyl]-4-yl-2-oxoethyl ester
Alternate Name(s) p-Phenylphenacyl [1,3,3'-tris(¹³C)]isobutyrate p-Phenylphacyl[1,3,3'-tris(¹³C)]isobutyrate
CAS Registry Number 119089-94-0
Comments Original formula: C15[13C]3H18O3
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+1,2+1,18+1
InChIKey RSVQLPPONUWMGZ-VEILVOAMSA-N
Molecular Weight 285.316 g/mol
SMILES [13CH3]C([13C](OCC(c1ccc(cc1)-c1ccccc1)=O)=O)[13CH3]
SPLASH splash10-001i-0900000000-0fda9fb691e5d17218e1
Source of Spectrum KC-1988-3204-0
Wiley ID 1286278