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Cholest-2-eno[3,2-b]naphthalene, 5'-nitro-
SpectraBase Compound ID CjOeqt4LKZD
InChI InChI=1S/C35H49NO2/c1-22(2)8-6-9-23(3)30-14-15-31-28-13-12-27-19-25-18-24-10-7-11-33(36(37)38)29(24)20-26(25)21-35(27,5)32(28)16-17-34(30,31)4/h7,10-11,18,20,22-23,27-28,30-32H,6,8-9,12-17,19,21H2,1-5H3
InChIKey JEXDYQHNFKXLFP-UHFFFAOYSA-N
Mol Weight 515.8 g/mol
Molecular Formula C35H49NO2
Exact Mass 515.37633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Mrx2H1hsk8
Name 1-(1,5-DIMETHYLHEXYL)-13A,15A-DIMETHYL-11-NITRO-2,3,3A,3B,4,5,5A,6,13,13A,13B,14,15,15A-TETRADECAHYDRO-1H-INDENO[5,4-A]NAPHTHACENE
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Exact Mass 515.376329820 u
Formula C35H49NO2
InChI InChI=1S/C35H49NO2/c1-22(2)8-6-9-23(3)30-14-15-31-28-13-12-27-19-25-18-24-10-7-11-33(36(37)38)29(24)20-26(25)21-35(27,5)32(28)16-17-34(30,31)4/h7,10-11,18,20,22-23,27-28,30-32H,6,8-9,12-17,19,21H2,1-5H3
InChIKey JEXDYQHNFKXLFP-UHFFFAOYSA-N
Molecular Weight 515.782 g/mol
Nominal Mass 515 u
Number of Peaks 336
SMILES C12C(CCC3Cc4cc5cccc(c5cc4CC13C)N(=O)=O)C1CCC(C1(CC2)C)C(CCCC(C)C)C
SPLASH splash10-066u-9542020000-8f0f18de462add61ddd1
Source File Reference LMCM-20133-551G
Synonyms 14,18-dimethyl-19-(6-methylheptan-2-yl)-9-nitrohexacyclo[12.11.0.0(3,12).0(5,10).0(15,23).0(18,22)]pentacosa-3(12),4,6,8,10-pentaene
Wiley ID 8_8191