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1E,3E,7E-OCTATRIENE
SpectraBase Compound ID 6sJAMGZtYPP
InChI InChI=1S/C8H12/c1-3-5-7-8-6-4-2/h3-5,7H,1-2,6,8H2/b7-5+
InChIKey ZTJHDEXGCKAXRZ-FNORWQNLSA-N
Mol Weight 108.18 g/mol
Molecular Formula C8H12
Exact Mass 108.0939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AhyF41HJMNR
Name 1,3,7-Octatriene
Alternate Name(s) (3E)-1,3,7-Octatriene (3E)-octa-1,3,7-triene .alpha.-Ocimene Octa-1,3,7-triene EINECS 213-686-3
CAS Registry Number 1002-35-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12
InChI InChI=1S/C8H12/c1-3-5-7-8-6-4-2/h3-5,7H,1-2,6,8H2/b7-5+
InChIKey ZTJHDEXGCKAXRZ-FNORWQNLSA-N
Molecular Weight 108.184 g/mol
SMILES C=C\C=C\CCC=C
SPLASH splash10-014l-9000000000-9f2deb871b61e5cc3a28
Source of Spectrum IC-67-0-0
Wiley ID 1121907