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rel-1H,cis-5H,cis-4,cis-8-Dibrombicyclo[3.3.0]octa-2,6-dien-2,6-dicarbonitrile
SpectraBase Compound ID Co31LcJbvfd
InChI InChI=1S/C10H6Br2N2/c11-7-1-5(3-13)9-8(12)2-6(4-14)10(7)9/h1-2,7-10H/t7-,8-,9+,10+/m0/s1
InChIKey PRFCLFWYDGBLCX-AXTSPUMRSA-N
Mol Weight 313.98 g/mol
Molecular Formula C10H6Br2N2
Exact Mass 311.889774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 90cxz9AXbiX
Name rel-1H,cis-5H,cis-4,cis-8-Dibrombicyclo[3.3.0]octa-2,6-dien-2,6-dicarbonitrile
Alternate Name(s) (3S,3aR,6S,6aR)-3,6-dibromo-3,3a,6,6a-tetrahydropentalene-1,4-dicarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H6Br2N2
InChI InChI=1S/C10H6Br2N2/c11-7-1-5(3-13)9-8(12)2-6(4-14)10(7)9/h1-2,7-10H/t7-,8-,9+,10+/m0/s1
InChIKey PRFCLFWYDGBLCX-AXTSPUMRSA-N
Literature Reference DOI 10.1002/cber.19921250431
Molecular Weight 313.980 g/mol
SMILES C=1([C@]2([C@@]([C@](C1)(Br)[H])(C(=C[C@@]2(Br)[H])C#N)[H])[H])C#N
SPLASH splash10-0ufr-0920000000-fb02bae5047d26454e3b
Source of Spectrum K-125-972-6
Wiley ID 1793035