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E,E,E-CYCLODODECA-1,5,9-TRIENE

View entire compound with spectra: 11 NMR, 1 FTIR, 1 Raman, and 8 MS (GC)

E,E,E-CYCLODODECA-1,5,9-TRIENE
SpectraBase Compound ID LlQ2BEoyYNb
InChI 1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2/b2-1+,9-7+,10-8+
InChIKey ZOLLIQAKMYWTBR-FFWAUJBHSA-N
Mol Weight 162.28 g/mol
Molecular Formula C12H18
Exact Mass 162.140851 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EMcLmRkhVvc
Name trans-1,trans-5,trans-9-Cyclododecatriene
CAS Registry Number 676-22-2
Comments SOLVENT IS A 4/1-MIXTURE OF CHCL2F/CHCLF2
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C12H18
InChI InChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2/b2-1+,9-7+,10-8+
InChIKey ZOLLIQAKMYWTBR-FFWAUJBHSA-N
Instrument Name Special
Literature Reference F.A. Anet, T.N. Rawdah, J. Am. Chem. Soc. 100, 5003 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany