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4,4-Dichloro-12-phenyl-10,11,12-triazapentacyclo[6.5.1.0(2,7).0(3,5).0(9,13)]tetradec-10-ene
SpectraBase Compound ID 6eCWtHJDstq
InChI InChI=1S/C17H17Cl2N3/c18-17(19)12-7-9-10-6-11(13(9)14(12)17)16-15(10)20-21-22(16)8-4-2-1-3-5-8/h1-5,9-16H,6-7H2/t9?,10-,11+,12?,13?,14?,15?,16?/m0/s1
InChIKey ODBOJHQQSKXVFH-WFKYWGMWSA-N
Mol Weight 334.25 g/mol
Molecular Formula C17H17Cl2N3
Exact Mass 333.079953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I7Y1HkTTOJz
Name 4,4-Dichloro-12-phenyl-10,11,12-triazapentacyclo[6.5.1.0(2,7).0(3,5).0(9,13)]tetradec-10-ene
CAS Registry Number 3265-86-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17Cl2N3
InChI InChI=1S/C17H17Cl2N3/c18-17(19)12-7-9-10-6-11(13(9)14(12)17)16-15(10)20-21-22(16)8-4-2-1-3-5-8/h1-5,9-16H,6-7H2/t9?,10-,11+,12?,13?,14?,15?,16?/m0/s1
InChIKey ODBOJHQQSKXVFH-WFKYWGMWSA-N
Molecular Weight 334.250 g/mol
SMILES C12N(N=NC2[C@@]2(C3C([C@]1(C2)[H])C1C(C3)C1(Cl)Cl)[H])c1ccccc1
SPLASH splash10-0a6u-6900000000-b46b674ed0709edcdfb9
Wiley ID 1470020