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Propanoic-2-13C acid, 2-methyl-, 2-[1,1'-biphenyl]-4-yl-2-oxoethyl ester
SpectraBase Compound ID 77Oag4Ddtxg
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/i13+1
InChIKey RSVQLPPONUWMGZ-KCKQSJSWSA-N
Mol Weight 283.33 g/mol
Molecular Formula C1713CH18O3
Exact Mass 283.128949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9OxJqDC6C0I
Name Propanoic-2-13C acid, 2-methyl-, 2-[1,1'-biphenyl]-4-yl-2-oxoethyl ester
Alternate Name(s) p-Phenylphenacyl[2-¹³C]isobutyrate
CAS Registry Number 119089-89-3
Comments Original formula: C17[13C]H18O3
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/i13+1
InChIKey RSVQLPPONUWMGZ-KCKQSJSWSA-N
Molecular Weight 283.331 g/mol
SMILES [13CH](C(OCC(c1ccc(cc1)-c1ccccc1)=O)=O)(C)C
SPLASH splash10-0f89-0900000000-125d62c5f19046d18222
Source of Spectrum KC-1988-3204-0
Wiley ID 1286275