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1-Chrysenecarboxylic acid, methyl ester

View entire compound with spectra: 1 MS (GC)

1-Chrysenecarboxylic acid, methyl ester
SpectraBase Compound ID 9hl5gmDXtuv
InChI InChI=1S/C20H14O2/c1-22-20(21)19-8-4-7-15-17-10-9-13-5-2-3-6-14(13)16(17)11-12-18(15)19/h2-12H,1H3
InChIKey IWFIJMFJWRKOPY-UHFFFAOYSA-N
Mol Weight 286.33 g/mol
Molecular Formula C20H14O2
Exact Mass 286.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8dViC4SabLV
Name 1-Chrysenecarboxylic acid, methyl ester
Alternate Name(s) Methyl chrysene-1-carboxylate 1-Chrysenecarboxylic acid methyl ester
CAS Registry Number 90340-68-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H14O2
InChI InChI=1S/C20H14O2/c1-22-20(21)19-8-4-7-15-17-10-9-13-5-2-3-6-14(13)16(17)11-12-18(15)19/h2-12H,1H3
InChIKey IWFIJMFJWRKOPY-UHFFFAOYSA-N
Molecular Weight 286.330 g/mol
SMILES c12c(c3ccccc3cc2)ccc2c1cccc2C(=O)OC
SPLASH splash10-000i-0190000000-40a6872a2e43e61e23c6
Source of Spectrum B-37-574-0
Wiley ID 1290342