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1-Pyrenebutyric acid
SpectraBase Compound ID 7TFbygwQlRs
InChI InChI=1S/C20H16O2/c21-18(22)6-2-3-13-7-8-16-10-9-14-4-1-5-15-11-12-17(13)20(16)19(14)15/h1,4-5,7-12H,2-3,6H2,(H,21,22)
InChIKey QXYRRCOJHNZVDJ-UHFFFAOYSA-N
Mol Weight 288.35 g/mol
Molecular Formula C20H16O2
Exact Mass 288.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3XJILdbYH0G
Name 1-Pyrenebutanoic acid
CAS Registry Number 3443-45-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16O2
InChI InChI=1S/C20H16O2/c21-18(22)6-2-3-13-7-8-16-10-9-14-4-1-5-15-11-12-17(13)20(16)19(14)15/h1,4-5,7-12H,2-3,6H2,(H,21,22)
InChIKey QXYRRCOJHNZVDJ-UHFFFAOYSA-N
Molecular Weight 288.346 g/mol
SMILES OC(CCCc1c2c3c4c(cc2)cccc4ccc3cc1)=O
SPLASH splash10-014i-1290000000-93046ab6349327c9064d
Source of Spectrum AD-0-2532-0
Synonyms .gamma.-(3-Pyrenyl)butyric acid 1-Pyrenebutyrate 1-Pyrenebutyric acid 1-Pyrenylbutyric acid 4-(1-Pyrene)butanoic acid 4-(1-Pyrene)butyric acid 4-(1-Pyrenyl)butanoic acid 4-(1-Pyrenyl)butyric acid 4-Pyren-1-ylbutanoic acid 4-Pyren-1-ylbutyric acid gamma-(3-Pyrenyl)butyric acid Pyrene-1-butyric acid Pyrene-3-butyric acid EINECS 222-354-7 NSC 30833
Wiley ID 1429960