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1,3-Propanedione-1-14C, 1-[2-hydroxy-4-(phenylmethoxy)phenyl]-3-[4-(phenylmethoxy)phenyl]-
SpectraBase Compound ID m8lqwdX4u2
InChI InChI=1S/C29H24O5/c30-27(23-11-13-24(14-12-23)33-19-21-7-3-1-4-8-21)18-29(32)26-16-15-25(17-28(26)31)34-20-22-9-5-2-6-10-22/h1-17,31H,18-20H2/i29+2
InChIKey NLRKCXALJSFVAE-LWSDDGEFSA-N
Mol Weight 454.5 g/mol
Molecular Formula C2814CH24O5
Exact Mass 454.165616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JViHlABMDAW
Name 1,3-Propanedione-1-14C, 1-[2-hydroxy-4-(phenylmethoxy)phenyl]-3-[4-(phenylmethoxy)phenyl]-
CAS Registry Number 85045-01-8
Comments Original formula: C28[14C]H24O5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H24O5
InChI InChI=1S/C29H24O5/c30-27(23-11-13-24(14-12-23)33-19-21-7-3-1-4-8-21)18-29(32)26-16-15-25(17-28(26)31)34-20-22-9-5-2-6-10-22/h1-17,31H,18-20H2/i29+2
InChIKey NLRKCXALJSFVAE-LWSDDGEFSA-N
Molecular Weight 454.498 g/mol
SMILES Oc1c([14C](CC(c2ccc(OCc3ccccc3)cc2)=O)=O)ccc(OCc2ccccc2)c1
SPLASH splash10-01ox-9050000000-03d66b602405f925ef5a
Source of Spectrum KC-1982-2731-0
Synonyms [carbonyl(acetyl)-(14)C]-4-O-benzyl-2-O-(p-benzyloxybenzoyl)resacetophenone
Wiley ID 1388372