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ETHYL-CHRYSENE-1-CARBOXYLATE
SpectraBase Compound ID 7GSt4JVQUj1
InChI InChI=1S/C21H16O2/c1-2-23-21(22)20-9-5-8-16-18-11-10-14-6-3-4-7-15(14)17(18)12-13-19(16)20/h3-13H,2H2,1H3
InChIKey NNPUKXNLWMHGLF-UHFFFAOYSA-N
Mol Weight 300.36 g/mol
Molecular Formula C21H16O2
Exact Mass 300.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BczDgTaz9pT
Name 1-Chrysenecarboxylic acid, ethyl ester
Alternate Name(s) Ethyl 1-chrysenecarboxylate Ethyl chrysene-1-carboxylate
CAS Registry Number 90340-64-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16O2
InChI InChI=1S/C21H16O2/c1-2-23-21(22)20-9-5-8-16-18-11-10-14-6-3-4-7-15(14)17(18)12-13-19(16)20/h3-13H,2H2,1H3
InChIKey NNPUKXNLWMHGLF-UHFFFAOYSA-N
Molecular Weight 300.357 g/mol
SMILES c12c(c3ccccc3cc2)ccc2c1cccc2C(=O)OCC
SPLASH splash10-0udi-0069000000-56a423286518e11ec081
Source of Spectrum B-37-574-0
Wiley ID 1303407