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Perylene-3-carboxylic acid

View entire compound with spectra: 1 MS (GC)

Perylene-3-carboxylic acid
SpectraBase Compound ID FT6YiAqVhjJ
InChI InChI=1S/C21H12O2/c22-21(23)18-11-10-17-14-7-2-5-12-4-1-6-13(19(12)14)15-8-3-9-16(18)20(15)17/h1-11H,(H,22,23)
InChIKey IIZGWPQZWKLJOI-UHFFFAOYSA-N
Mol Weight 296.32 g/mol
Molecular Formula C21H12O2
Exact Mass 296.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lo8kL52FWKa
Name Perylene-3-carboxylic acid
Alternate Name(s) 3-Perylenecarboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H12O2
InChI InChI=1S/C21H12O2/c22-21(23)18-11-10-17-14-7-2-5-12-4-1-6-13(19(12)14)15-8-3-9-16(18)20(15)17/h1-11H,(H,22,23)
InChIKey IIZGWPQZWKLJOI-UHFFFAOYSA-N
Molecular Weight 296.325 g/mol
SMILES OC(c1c2c3c(c4cccc5c4c(c3ccc2)ccc5)cc1)=O
SPLASH splash10-0002-0090000000-52902b3d58f90357f0c6
Source of Spectrum U-1997-468-4
Wiley ID 769477