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3-(11H-benzo[b]fluorene-11-yl) butyric acid
SpectraBase Compound ID XCoTfNrawl
InChI InChI=1S/C21H18O2/c1-13(10-20(22)23)21-17-9-5-4-8-16(17)18-11-14-6-2-3-7-15(14)12-19(18)21/h2-9,11-13,21H,10H2,1H3,(H,22,23)
InChIKey NIFZRFSMOZURPW-UHFFFAOYSA-N
Mol Weight 302.37 g/mol
Molecular Formula C21H18O2
Exact Mass 302.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1XgfC0h26BX
Name 3-(11H-benzo[b]fluorene-11-yl) butyric acid
Alternate Name(s) 3-(11H-benzo[b]fiuore-11-yl)butyric acid 3-(11H-benzo[b]fluoren-11-yl)butanoic acid
CAS Registry Number 95741-66-5
Comments Less than 3 mono-isotopic peaks
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Formula C21H18O2
InChI InChI=1S/C21H18O2/c1-13(10-20(22)23)21-17-9-5-4-8-16(17)18-11-14-6-2-3-7-15(14)12-19(18)21/h2-9,11-13,21H,10H2,1H3,(H,22,23)
InChIKey NIFZRFSMOZURPW-UHFFFAOYSA-N
Molecular Weight 302.373 g/mol
SMILES OC(CC(C1c2c(-c3c1cccc3)cc1c(cccc1)c2)C)=O
SPLASH splash10-0a4i-0091000000-5f3078a62a8def09888e
Source of Spectrum J-50-1952-30
Wiley ID 1305209