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1,5,9-Cyclododecatriene, 3-butyl-, (E,E,E)-

View entire compound with spectra: 1 MS (GC)

1,5,9-Cyclododecatriene, 3-butyl-, (E,E,E)-
SpectraBase Compound ID 2PpvMZri3Sc
InChI InChI=1S/C16H26/c1-2-3-13-16-14-11-9-7-5-4-6-8-10-12-15-16/h4-5,10-12,14,16H,2-3,6-9,13,15H2,1H3/b5-4-,12-10-,14-11-
InChIKey QQGVLPDWSBJPIZ-QQRZHNEISA-N
Mol Weight 218.38 g/mol
Molecular Formula C16H26
Exact Mass 218.203451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7HBhQSDpjYt
Name 1,5,9-Cyclododecatriene, 3-butyl-, (E,E,E)-
Alternate Name(s) 3-Butyl-1,5,9-cyclododecatriene 3-Butyl-all-trans-1,5,9-cyclododecatrien
CAS Registry Number 98700-22-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26
InChI InChI=1S/C16H26/c1-2-3-13-16-14-11-9-7-5-4-6-8-10-12-15-16/h4-5,10-12,14,16H,2-3,6-9,13,15H2,1H3/b5-4-,12-10-,14-11-
InChIKey QQGVLPDWSBJPIZ-QQRZHNEISA-N
Molecular Weight 218.384 g/mol
SMILES C1\C=C/C(C\C=C/CC\C=C/C1)CCCC
SPLASH splash10-0arr-9500000000-54110cb2aa94a458a396
Source of Spectrum K-118-2341-14
Wiley ID 1218490