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1,5-Heptadiene, (E)-
SpectraBase Compound ID 94DxLc4Vt4d
InChI InChI=1S/C7H12/c1-3-5-7-6-4-2/h3-4,6H,1,5,7H2,2H3/b6-4+
InChIKey ZGXMNEKDFYUNDQ-GQCTYLIASA-N
Mol Weight 96.17 g/mol
Molecular Formula C7H12
Exact Mass 96.0939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J8wX3HfVfTA
Name 1,5-Heptadiene, (E)-
Alternate Name(s) (5E)-1,5-Heptadiene (5E)-hepta-1,5-diene 1,5-Heptadiene 1,trans-5-Heptadiene trans-1,5-Heptadiene
CAS Registry Number 1541-23-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12
InChI InChI=1S/C7H12/c1-3-5-7-6-4-2/h3-4,6H,1,5,7H2,2H3/b6-4+
InChIKey ZGXMNEKDFYUNDQ-GQCTYLIASA-N
Molecular Weight 96.173 g/mol
SMILES C=CCC\C=C\C
SPLASH splash10-0a4i-9000000000-e3f2cd650d3e7748a7dc
Source of Spectrum NP-0-1412-0
Wiley ID 1094576