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1-Chrysenecarboxylic acid
SpectraBase Compound ID 58wv9pIWGjz
InChI InChI=1S/C19H12O2/c20-19(21)18-7-3-6-14-16-9-8-12-4-1-2-5-13(12)15(16)10-11-17(14)18/h1-11H,(H,20,21)
InChIKey RRRVONFEWMKESR-UHFFFAOYSA-N
Mol Weight 272.3 g/mol
Molecular Formula C19H12O2
Exact Mass 272.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8EPzhBzXYVK
Name 1-Chrysenecarboxylic acid
CAS Registry Number 87717-16-6
Comments Less than 3 mono-isotopic peaks
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Formula C19H12O2
InChI InChI=1S/C19H12O2/c20-19(21)18-7-3-6-14-16-9-8-12-4-1-2-5-13(12)15(16)10-11-17(14)18/h1-11H,(H,20,21)
InChIKey RRRVONFEWMKESR-UHFFFAOYSA-N
Molecular Weight 272.303 g/mol
SMILES OC(c1c2c(c3c(c4ccccc4cc3)cc2)ccc1)=O
SPLASH splash10-00di-0090000000-19a60291323bea26fb65
Source of Spectrum B-37-575-0
Synonyms Chrysene-1-carboxylic acid
Wiley ID 1276650