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9-Phenanthrenemethyl nicotinate
SpectraBase Compound ID LGLnmUVHBSd
InChI InChI=1S/C21H15NO2/c23-21(16-7-5-11-22-13-16)24-14-17-12-15-6-1-2-8-18(15)20-10-4-3-9-19(17)20/h1-13H,14H2
InChIKey BHPJTNOHNPJGOB-UHFFFAOYSA-N
Mol Weight 313.36 g/mol
Molecular Formula C21H15NO2
Exact Mass 313.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2k205m9okOQ
Name 9-Phenanthrenemethyl nicotinate
Alternate Name(s) 9-Phenanthrylmethyl nicotinate
CAS Registry Number 92174-45-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15NO2
InChI InChI=1S/C21H15NO2/c23-21(16-7-5-11-22-13-16)24-14-17-12-15-6-1-2-8-18(15)20-10-4-3-9-19(17)20/h1-13H,14H2
InChIKey BHPJTNOHNPJGOB-UHFFFAOYSA-N
Molecular Weight 313.356 g/mol
SMILES c12c(c(COC(c3cnccc3)=O)cc3c1cccc3)cccc2
SPLASH splash10-052f-0901000000-f85d1df429a90033cf64
Source of Spectrum W5-1989-35177-30359
Wiley ID 1314449