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Spiro[1,4-methanonaphthalene-2(1H),2'-oxirane]-6,6,7,7-tetracarbonitrile, 3,4,5,8-tetrahydro-, [1S-(1.alpha.,2.alpha.,4.alpha.)]-
SpectraBase Compound ID 8IOwuTyHOGl
InChI InChI=1S/C16H12N4O/c17-5-14(6-18)3-11-10-1-13(16(2-10)9-21-16)12(11)4-15(14,7-19)8-20/h10,13H,1-4,9H2/t10-,13-,16-/m0/s1
InChIKey CNKPAQHPWGBZBW-NKFCBESUSA-N
Mol Weight 276.3 g/mol
Molecular Formula C16H12N4O
Exact Mass 276.101111 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8CGZbGsc6Dh
Name Spiro[1,4-methanonaphthalene-2(1H),2'-oxirane]-6,6,7,7-tetracarbonitrile, 3,4,5,8-tetrahydro-, [1S-(1.alpha.,2.alpha.,4.alpha.)]-
CAS Registry Number 118205-59-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12N4O
InChI InChI=1S/C16H12N4O/c17-5-14(6-18)3-11-10-1-13(16(2-10)9-21-16)12(11)4-15(14,7-19)8-20/h10,13H,1-4,9H2/t10-,13-,16-/m0/s1
InChIKey CNKPAQHPWGBZBW-NKFCBESUSA-N
Molecular Weight 276.299 g/mol
SMILES C12=C([C@@]3([H])C[C@@]1([C@]1(OC1)C3)[H])CC(C(C2)(C#N)C#N)(C#N)C#N
SPLASH splash10-00kf-6900000000-dd71e2c78f0dc7673802
Source of Spectrum H-71-427-23
Synonyms (-)-(!S,2S,4S)-spiro[6,6,7,7-tetracyano-(1,4)-methano-tetrahydronaphthalene-2,2'-oxirane] (-)-(S,2S,4S)-Spiro[6,6,7,7-tetracyano-(1,4)-methano-tetrahydronaphthalene-2,2'-oxirane] (1'S,2R,8'S)-spiro[oxirane-2,9'-tricyclo[6.2.1.0(2,7)]undecan]-2'(7')-ene-4',4',5',5'-tetracarbonitrile
Wiley ID 1280072