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4-(6-Benzo[B]pyrenyl)butanoic acid
SpectraBase Compound ID LdCHTGJZcF8
InChI InChI=1S/C24H18O2/c25-22(26)10-4-9-19-17-7-1-2-8-18(17)20-13-11-15-5-3-6-16-12-14-21(19)24(20)23(15)16/h1-3,5-8,11-14H,4,9-10H2,(H,25,26)
InChIKey UWGWZPYBVFTADP-UHFFFAOYSA-N
Mol Weight 338.41 g/mol
Molecular Formula C24H18O2
Exact Mass 338.13068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FlPLonIDOCw
Name 4-(6-Benzo[B]pyrenyl)butanoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 338.130679818 u
Formula C24H18O2
InChI InChI=1S/C24H18O2/c25-22(26)10-4-9-19-17-7-1-2-8-18(17)20-13-11-15-5-3-6-16-12-14-21(19)24(20)23(15)16/h1-3,5-8,11-14H,4,9-10H2,(H,25,26)
InChIKey UWGWZPYBVFTADP-UHFFFAOYSA-N
Molecular Weight 338.406 g/mol
SMILES C=12C3=C(CCCC(=O)O)C=4C(C2=CC=C2C1C(C=C3)=CC=C2)=CC=CC4