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(+-)-(1a.alpha.,2.beta.,7.beta.,7a.alpha.,8R*,9R*)-1a,2,3,6,7,7a-Hexahydro-8,9-bis- (chloromethyl)-2,7-ethanonaphth[2,3-b]oxirene-4,4,5,5-tetracarbonitrile

View entire compound with spectra: 1 MS (GC)

(+-)-(1a.alpha.,2.beta.,7.beta.,7a.alpha.,8R*,9R*)-1a,2,3,6,7,7a-Hexahydro-8,9-bis- (chloromethyl)-2,7-ethanonaphth[2,3-b]oxirene-4,4,5,5-tetracarbonitrile
SpectraBase Compound ID C0GFwSaoReO
InChI InChI=1S/C18H14Cl2N4O/c19-3-11-12(4-20)14-10-2-18(7-23,8-24)17(5-21,6-22)1-9(10)13(11)15-16(14)25-15/h11-16H,1-4H2/t11-,12-,13-,14+,15+,16-/m0/s1
InChIKey SDDDGOYXCFROIK-AYYATWNNSA-N
Mol Weight 373.24 g/mol
Molecular Formula C18H14Cl2N4O
Exact Mass 372.054466 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2DE5RxpLd7A
Name (+-)-(1a.alpha.,2.beta.,7.beta.,7a.alpha.,8R*,9R*)-1a,2,3,6,7,7a-Hexahydro-8,9-bis- (chloromethyl)-2,7-ethanonaphth[2,3-b]oxirene-4,4,5,5-tetracarbonitrile
Alternate Name(s) (1R,8S,9S,11R,12R,13R)-12,13-bis(chloromethyl)-10-oxatetracyclo[6.3.2.0(2,7).0(9,11)]tridec-2(7)-ene-4,4,5,5-tetracarbonitrile
CAS Registry Number 75073-84-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14Cl2N4O
InChI InChI=1S/C18H14Cl2N4O/c19-3-11-12(4-20)14-10-2-18(7-23,8-24)17(5-21,6-22)1-9(10)13(11)15-16(14)25-15/h11-16H,1-4H2/t11-,12-,13-,14+,15+,16-/m0/s1
InChIKey SDDDGOYXCFROIK-AYYATWNNSA-N
Molecular Weight 373.243 g/mol
SMILES [C@]12([C@@]([C@]3([H])C4=C([C@]2([C@]([C@@]3(CCl)[H])(CCl)[H])[H])CC(C(C#N)(C#N)C4)(C#N)C#N)([H])O1)[H]
SPLASH splash10-0abl-0091000000-6a8ddecf85f2b08f2c6c
Source of Spectrum F-36-153-0
Wiley ID 1355288