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7-(4-N,N-Di-n-butylaminophenyl)-2,3,4,4a,5,6,10,10a-octahydroanthracene-2-one
SpectraBase Compound ID 3IJ3uO7OBFh
InChI InChI=1S/C28H37NO/c1-3-5-15-29(16-6-4-2)27-12-9-21(10-13-27)22-7-8-23-17-24-11-14-28(30)20-26(24)19-25(23)18-22/h9-10,12-13,18-20,23-24H,3-8,11,14-17H2,1-2H3
InChIKey KZJDLWXIBCZQRZ-UHFFFAOYSA-N
Mol Weight 403.6 g/mol
Molecular Formula C28H37NO
Exact Mass 403.287515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJklFrSzL23
Name 7-(4-N,N-Di-n-butylaminophenyl)-2,3,4,4a,5,6,10,10a-octahydroanthracene-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C28H37NO
InChI InChI=1S/C28H37NO/c1-3-5-15-29(16-6-4-2)27-12-9-21(10-13-27)22-7-8-23-17-24-11-14-28(30)20-26(24)19-25(23)18-22/h9-10,12-13,18-20,23-24H,3-8,11,14-17H2,1-2H3
InChIKey KZJDLWXIBCZQRZ-UHFFFAOYSA-N
Molecular Weight 403.610 g/mol
SMILES C12=CC3=CC(=O)CCC3CC2CCC(=C1)c1ccc(cc1)N(CCCC)CCCC
SPLASH splash10-0udi-0002900000-1dd1ff977c7419d270fb
Source of Spectrum QE-8-1587-18
Synonyms 7-[4-(dibutylamino)phenyl]-4,4a,5,6,10,10a-hexahydro-2(3H)-anthracenone
Wiley ID 1557463