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2-{2-[PHENYLDIAZENYL]PHENYL}CHOLESTANE
SpectraBase Compound ID AboGK2D1W7c
InChI InChI=1S/C39H56N2/c1-27(2)12-11-13-28(3)34-22-23-35-33-21-20-30-19-18-29(26-39(30,5)36(33)24-25-38(34,35)4)32-16-9-10-17-37(32)41-40-31-14-7-6-8-15-31/h6-10,14-17,27-30,33-36H,11-13,18-26H2,1-5H3/b41-40-/t28-,29?,30?,33+,34-,35+,36+,38-,39+/m1/s1
InChIKey DMIZKHLRJCOOLS-SAHITZOBSA-N
Mol Weight 552.9 g/mol
Molecular Formula C39H56N2
Exact Mass 552.44435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kf7Lxqb7I2G
Name 2-{2-[PHENYLDIAZENYL]PHENYL}CHOLESTANE
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Exact Mass 552.444349811 u
Formula C39H56N2
InChI InChI=1S/C39H56N2/c1-27(2)12-11-13-28(3)34-22-23-35-33-21-20-30-19-18-29(26-39(30,5)36(33)24-25-38(34,35)4)32-16-9-10-17-37(32)41-40-31-14-7-6-8-15-31/h6-10,14-17,27-30,33-36H,11-13,18-26H2,1-5H3/b41-40-/t28-,29?,30?,33+,34-,35+,36+,38-,39+/m1/s1
InChIKey DMIZKHLRJCOOLS-SAHITZOBSA-N
Molecular Weight 552.891 g/mol
Nominal Mass 552 u
Number of Peaks 227
SMILES C1C(C[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CCC2C1)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C)c1c(cccc1)\N=N/c1ccccc1
SPLASH splash10-0230-8950310000-d2c43a43fce8cb20f863
Source File Reference LMCM-92173-864V
Synonyms (Z)-1-{2-[(1S,2S,10R,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-4-yl]phenyl}-2-phenyldiazene {2-[17-(1,5-DIMETHYL-HEXYL)-10,13-DIMETHYL-HEXADECAHYDRO-CYCLOPENTA[A]PHENANTHREN-2-YL]-PHENYL}-PHENYL-DIAZENE
Wiley ID 8_8203