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1,5,9-Cyclododecatriene, 3-iodo-, (E,E,E)-
SpectraBase Compound ID 5NQVBrorHB6
InChI InChI=1S/C12H17I/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h1-2,7-10,12H,3-6,11H2/b2-1+,9-7+,10-8+
InChIKey UPDYREMCEHNSLL-FFWAUJBHSA-N
Mol Weight 288.17 g/mol
Molecular Formula C12H17I
Exact Mass 288.037496 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IcdEqatEAQY
Name 1,5,9-Cyclododecatriene, 3-iodo-, (E,E,E)-
CAS Registry Number 98700-12-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17I
InChI InChI=1S/C12H17I/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h1-2,7-10,12H,3-6,11H2/b2-1+,9-7+,10-8+
InChIKey UPDYREMCEHNSLL-FFWAUJBHSA-N
Molecular Weight 288.172 g/mol
SMILES C1\C=C\C(C\C=C\CC\C=C\C1)I
SPLASH splash10-00mo-9300000000-4bde3b014d9c79963d00
Source of Spectrum K-118-2335-2
Synonyms 3-iodo-1,5,9-cyclododecatriene all-trans-3-iod-1,5,9-cyclododecatrien
Wiley ID 1291321