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3,4,4-Trichloro-2-nitro-N,N'-bis(1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)buta-1,3-diene-1,1-diamine
SpectraBase Compound ID HcpF2b8rXjC
InChI InChI=1S/C24H36Cl3N3O2/c1-21(2)13-7-9-23(21,5)15(11-13)28-20(18(30(31)32)17(25)19(26)27)29-16-12-14-8-10-24(16,6)22(14,3)4/h13-16,28-29H,7-12H2,1-6H3/t13-,14-,15?,16?,23+,24+/m1/s1
InChIKey CUEJPZZHGWVTGL-HJTCGZFUSA-N
Mol Weight 504.9 g/mol
Molecular Formula C24H36Cl3N3O2
Exact Mass 503.187311 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H6QZKu5wQAH
Name 3,4,4-Trichloro-2-nitro-N,N'-bis(1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)buta-1,3-diene-1,1-diamine
Appearance Light brown solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 503.187310509 u
Formula C24H36Cl3N3O2
InChI InChI=1S/C24H36Cl3N3O2/c1-21(2)13-7-9-23(21,5)15(11-13)28-20(18(30(31)32)17(25)19(26)27)29-16-12-14-8-10-24(16,6)22(14,3)4/h13-16,28-29H,7-12H2,1-6H3/t13-,14-,15?,16?,23+,24+/m1/s1
InChIKey CUEJPZZHGWVTGL-HJTCGZFUSA-N
Instrument Name Hewlett-Packard MS 5989B
Ionization Type EI
Literature Reference DOI 10.24820/ark.5550190.p011.989
Molecular Weight 504.930 g/mol
Quality 72
SMILES N(C(=C(C(=C(Cl)Cl)Cl)[N+]([O-])=O)NC1[C@@]2(CC[C@](C1)(C2(C)C)[H])C)C1C[C@]2(CC[C@]1(C)C2(C)C)[H]
SPLASH splash10-0f79-0900000000-75640bfd2e35b92990fb
Source of Spectrum ARK-2023-13-P6C11 (DOI: 10.24820/ark.5550190.p011.989)
Wiley ID 1911290