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Pentacyclo[5.4.0.0(2,4).0(3,9).0(6,8)]undec-10-ene-5-carbonitrile
SpectraBase Compound ID AnWx7ih9B59
InChI InChI=1S/C12H11N/c13-3-6-11-7-4-1-2-5(9(7)11)10-8(4)12(6)10/h1-2,4-12H/t4-,5+,6?,7-,8+,9+,10-,11-,12+
InChIKey XHUNGQSQMUZVLH-BKZNZMLFSA-N
Mol Weight 169.23 g/mol
Molecular Formula C12H11N
Exact Mass 169.089149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DnvhdExxQc3
Name Pentacyclo[5.4.0.0(2,4).0(3,9).0(6,8)]undec-10-ene-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11N
InChI InChI=1S/C12H11N/c13-3-6-11-7-4-1-2-5(9(7)11)10-8(4)12(6)10/h1-2,4-12H/t4-,5+,6?,7-,8+,9+,10-,11-,12+
InChIKey XHUNGQSQMUZVLH-BKZNZMLFSA-N
Molecular Weight 169.227 g/mol
SMILES [C@]12([C@@]3([C@]4([C@@]5([C@]([C@@]2(C=C4)[H])([C@@]5(C([C@]13[H])C#N)[H])[H])[H])[H])[H])[H]
SPLASH splash10-014i-0900000000-90e76a63ce56249cb46e
Source of Spectrum H-73-1191-12
Wiley ID 1166018