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Cholest-2-eno[2,3-b]quinoxaline, 6'-chloro-
SpectraBase Compound ID Lb8c8f6MPoA
InChI InChI=1S/C33H47ClN2/c1-20(2)7-6-8-21(3)25-12-13-26-24-11-9-22-17-29-31(35-28-14-10-23(34)18-30(28)36-29)19-33(22,5)27(24)15-16-32(25,26)4/h10,14,18,20-22,24-27H,6-9,11-13,15-17,19H2,1-5H3
InChIKey WJRGVMUIFKIQNE-UHFFFAOYSA-N
Mol Weight 507.2 g/mol
Molecular Formula C33H47ClN2
Exact Mass 506.342777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IpRtglPbw2B
Name 9-CHLORO-1-(1,5-DIMETHYLHEXYL)-13A,15A-DIMETHYL-2,3,3A,3B,4,5,5A,6,13,13A,13B,14,15,15A-TETRADECAHYDRO-1H-CYCLOPENTA[5,6]NAPHTHO[1,2-B]PHENAZINE
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Exact Mass 506.342777221 u
Formula C33H47ClN2
InChI InChI=1S/C33H47ClN2/c1-20(2)7-6-8-21(3)25-12-13-26-24-11-9-22-17-29-31(35-28-14-10-23(34)18-30(28)36-29)19-33(22,5)27(24)15-16-32(25,26)4/h10,14,18,20-22,24-27H,6-9,11-13,15-17,19H2,1-5H3
InChIKey WJRGVMUIFKIQNE-UHFFFAOYSA-N
Molecular Weight 507.206 g/mol
Nominal Mass 506 u
Number of Peaks 311
SMILES C1C2(C(Cc3nc4cc(ccc4nc13)Cl)CCC1C3C(CCC21)(C(CC3)C(CCCC(C)C)C)C)C
SPLASH splash10-0a59-5291140000-a2aa4fe84b5967517bbc
Source File Reference LMCM-76436-708G
Synonyms 7-chloro-14,18-dimethyl-19-(6-methylheptan-2-yl)-4,11-diazahexacyclo[12.11.0.0(3,12).0(5,10).0(15,23).0(18,22)]pentacosa-3,5,7,9,11-pentaene
Wiley ID 8_8642