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9-[(1-(Octadecyl)-1H-1,2,3-triazol-4-yl)methyl]-3,6-dichloro-9H-carbazole
SpectraBase Compound ID 4n1IK4Qcb8s
InChI InChI=1S/C33H46Cl2N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-38-25-29(36-37-38)26-39-32-20-18-27(34)23-30(32)31-24-28(35)19-21-33(31)39/h18-21,23-25H,2-17,22,26H2,1H3
InChIKey DJYPXPGNUDHXMW-UHFFFAOYSA-N
Mol Weight 569.7 g/mol
Molecular Formula C33H46Cl2N4
Exact Mass 568.309953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eq41cDI8Nlh
Name 9-[(1-(Octadecyl)-1H-1,2,3-triazol-4-yl)methyl]-3,6-dichloro-9H-carbazole
Appearance Buff crystals
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Exact Mass 568.309952897 u
Formula C33H46Cl2N4
InChI InChI=1S/C33H46Cl2N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-38-25-29(36-37-38)26-39-32-20-18-27(34)23-30(32)31-24-28(35)19-21-33(31)39/h18-21,23-25H,2-17,22,26H2,1H3
InChIKey DJYPXPGNUDHXMW-UHFFFAOYSA-N
Instrument Name Trace GC 2000/Finnegan Mat SSQ 7000 or Shimadzu GCMS-QP-1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.1966
Molecular Weight 569.665 g/mol
Quality 95
SMILES C(CCCCCCCCCCCCCCCCC)N1N=NC(=C1)CN1C2=C(C3=C1C=CC(=C3)Cl)C=C(C=C2)Cl
SPLASH splash10-01bc-1358790000-413e08c6df55e7df0470
Source of Spectrum Y-52-1721-5 (DOI: 10.1002/jhet.1966)
Wiley ID 1902553