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1,4,4a,9a-tetrahydro-2,3-di-n-nonyl-9,10-anthraquinone
SpectraBase Compound ID L0pBrBlvurd
InChI InChI=1S/C32H48O2/c1-3-5-7-9-11-13-15-19-25-23-29-30(24-26(25)20-16-14-12-10-8-6-4-2)32(34)28-22-18-17-21-27(28)31(29)33/h17-18,21-22,29-30H,3-16,19-20,23-24H2,1-2H3
InChIKey YURDQSJPBUNBIY-UHFFFAOYSA-N
Mol Weight 464.7 g/mol
Molecular Formula C32H48O2
Exact Mass 464.365431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jx4JXATt2w8
Name 1,4,4a,9a-tetrahydro-2,3-di-n-nonyl-9,10-anthraquinone
CAS Registry Number 113568-79-9
Comments Less than 3 mono-isotopic peaks
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Formula C32H48O2
InChI InChI=1S/C32H48O2/c1-3-5-7-9-11-13-15-19-25-23-29-30(24-26(25)20-16-14-12-10-8-6-4-2)32(34)28-22-18-17-21-27(28)31(29)33/h17-18,21-22,29-30H,3-16,19-20,23-24H2,1-2H3
InChIKey YURDQSJPBUNBIY-UHFFFAOYSA-N
Molecular Weight 464.734 g/mol
SMILES C12C(C(=O)c3c(C2=O)cccc3)CC(=C(C1)CCCCCCCCC)CCCCCCCCC
SPLASH splash10-01p9-0009800000-9118a5a564a07f5c280f
Source of Spectrum K-121-1193-12
Synonyms 2,3-dinonyl-1,4,4a,9a-tetrahydro-9,10-anthracenedione
Wiley ID 1391649