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4-(6-benzo[b]pyrenyl)butanoic acid

View entire compound with spectra: 1 MS (GC)

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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dd55Vf0fnqH
Name 4-(6-benzo[b]pyrenyl)butanoic acid
Alternate Name(s) 4-Benzo[b]pyren-6-ylbutanoic acid 4-Benzo[b]pyren-6-ylbutyric acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 OC(CCCc1c2c3c(c4c1cccc4)ccc1c3c(cc2)ccc1)=O
SPLASH splash10-014i-0093000000-fb253112a220cda645de
Source of Spectrum U1-2003-3171-7
Wiley ID 1523792