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1-Methyl-(cyclohepta-1',3',6'-triene)[9,10-a]phenanthrene
SpectraBase Compound ID GjUfVJaOZdf
InChI InChI=1S/C20H16/c1-14-8-7-13-19-17-11-6-5-10-15(17)16-9-3-2-4-12-18(16)20(14)19/h2-11,13H,12H2,1H3
InChIKey WSSICVFECKTFEE-UHFFFAOYSA-N
Mol Weight 256.35 g/mol
Molecular Formula C20H16
Exact Mass 256.125201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6vCzuSceV7L
Name 1-Methyl-(cyclohepta-1',3',6'-triene)[9,10-a]phenanthrene
Alternate Name(s) 9,10-(Cyclohepta-1',4',6'-triene)[9,10-a]-1-methylphenanthrene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16
InChI InChI=1S/C20H16/c1-14-8-7-13-19-17-11-6-5-10-15(17)16-9-3-2-4-12-18(16)20(14)19/h2-11,13H,12H2,1H3
InChIKey WSSICVFECKTFEE-UHFFFAOYSA-N
Molecular Weight 256.348 g/mol
SMILES c12c(c3ccccc3c3c2c(ccc3)C)C=CC=CC1
SPLASH splash10-052f-0190000000-c0b5760c229560fe4ae8
Source of Spectrum C-117-4497-17b
Wiley ID 1697749