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4-(8-fluoranthenyl)-4-oxo-3(2)-methylbutyric acid
SpectraBase Compound ID 3fIp4gfHyUM
InChI InChI=1S/C21H16O3/c1-12(10-19(22)23)21(24)14-8-9-15-16-6-2-4-13-5-3-7-17(20(13)16)18(15)11-14/h2-9,11-12H,10H2,1H3,(H,22,23)
InChIKey VURYXNJXTCPEOB-UHFFFAOYSA-N
Mol Weight 316.36 g/mol
Molecular Formula C21H16O3
Exact Mass 316.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6CFBCCeTpE4
Name 4-(8-fluoranthenyl)-4-oxo-3(2)-methylbutyric acid
CAS Registry Number 95741-73-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16O3
InChI InChI=1S/C21H16O3/c1-12(10-19(22)23)21(24)14-8-9-15-16-6-2-4-13-5-3-7-17(20(13)16)18(15)11-14/h2-9,11-12H,10H2,1H3,(H,22,23)
InChIKey VURYXNJXTCPEOB-UHFFFAOYSA-N
Molecular Weight 316.356 g/mol
SMILES OC(CC(C(c1cc2-c3c4c(cccc4-c2cc1)ccc3)=O)C)=O
SPLASH splash10-00or-0094000000-cbdc81fabbdc91849994
Source of Spectrum J-50-1953-42
Synonyms 4-(8-fluoranthenyl)-3-methyl-4-oxobutanoic acid
Wiley ID 1317147