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4-(6-benzo[b]pyrenyl)-4-penten-2-ol
SpectraBase Compound ID 5PJDYMFbZjD
InChI InChI=1S/C25H20O/c1-15(14-16(2)26)23-20-9-4-3-8-19(20)21-12-10-17-6-5-7-18-11-13-22(23)25(21)24(17)18/h3-13,16,26H,1,14H2,2H3
InChIKey ADMNXLNKANJTCG-UHFFFAOYSA-N
Mol Weight 336.43 g/mol
Molecular Formula C25H20O
Exact Mass 336.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 53twuzNSaNk
Name 4-(6-benzo[b]pyrenyl)-4-penten-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H20O
InChI InChI=1S/C25H20O/c1-15(14-16(2)26)23-20-9-4-3-8-19(20)21-12-10-17-6-5-7-18-11-13-22(23)25(21)24(17)18/h3-13,16,26H,1,14H2,2H3
InChIKey ADMNXLNKANJTCG-UHFFFAOYSA-N
Molecular Weight 336.434 g/mol
SMILES OC(CC(c1c2c3c(c4c1cccc4)ccc1c3c(cc2)ccc1)=C)C
SPLASH splash10-002o-0094000000-f6844adf0ee0732c72cb
Source of Spectrum U1-2003-3169-9
Synonyms 4-Benzo[b]pyren-6-ylpent-4-en-2-ol
Wiley ID 1523798