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1,4-Epoxynaphthalene-6,6,7,7-tetracarbonitrile, 5-chloro-2,3-bis(chloromethyl)-1,2,3,4,5,8-hexahydro-, (1.alpha.,2.alpha.,3.alpha.,4.alpha.,5.alpha.)-
SpectraBase Compound ID F3OObt4ZlzH
InChI InChI=1S/C16H11Cl3N4O/c17-2-9-10(3-18)13-11-8(12(9)24-13)1-15(4-20,5-21)16(6-22,7-23)14(11)19/h9-10,12-14H,1-3H2/t9-,10+,12+,13+,14+/m1/s1
InChIKey CVVKDGFNSSJUPQ-ZZEGJQGJSA-N
Mol Weight 381.65 g/mol
Molecular Formula C16H11Cl3N4O
Exact Mass 379.999844 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LY4h1tqcKAX
Name 1,4-Epoxynaphthalene-6,6,7,7-tetracarbonitrile, 5-chloro-2,3-bis(chloromethyl)-1,2,3,4,5,8-hexahydro-, (1.alpha.,2.alpha.,3.alpha.,4.alpha.,5.alpha.)-
CAS Registry Number 75813-53-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11Cl3N4O
InChI InChI=1S/C16H11Cl3N4O/c17-2-9-10(3-18)13-11-8(12(9)24-13)1-15(4-20,5-21)16(6-22,7-23)14(11)19/h9-10,12-14H,1-3H2/t9-,10+,12+,13+,14+/m1/s1
InChIKey CVVKDGFNSSJUPQ-ZZEGJQGJSA-N
Molecular Weight 381.650 g/mol
SMILES C12=C([C@]3([H])O[C@]2([C@]([C@]3(CCl)[H])(CCl)[H])[H])CC(C([C@]1(Cl)[H])(C#N)C#N)(C#N)C#N
SPLASH splash10-0a4i-0390000000-406c2ce91467b4886582
Source of Spectrum H-65-883-0
Synonyms (1S,3R,8R,9R,10S)-3-chloro-9,10-bis(chloromethyl)-11-oxatricyclo[6.2.1.0(2,7)]undec-2(7)-ene-4,4,5,5-tetracarbonitrile 3exo-chloro-9exo,10exo-bis(chloromethyl)-11-oxatricyclo[6.2.1.0(2,7)]undec-2(7)-ene-4,4,5,5-tetracarbonitrile
Wiley ID 1359511