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1,5-Heptadien-3-yne
SpectraBase Compound ID BNsSnsgdTGn
InChI InChI=1S/C7H8/c1-3-5-7-6-4-2/h3-4,6H,1H2,2H3/b6-4+
InChIKey AIKGMUZHUHXBCF-GQCTYLIASA-N
Mol Weight 92.14 g/mol
Molecular Formula C7H8
Exact Mass 92.0626 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9eMkwUIXugL
Name 1,5-Heptadien-3-yne
CAS Registry Number 3511-27-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H8
InChI InChI=1S/C7H8/c1-3-5-7-6-4-2/h3-4,6H,1H2,2H3/b6-4+
InChIKey AIKGMUZHUHXBCF-GQCTYLIASA-N
Molecular Weight 92.141 g/mol
SMILES C\C=C\C#CC=C
SPLASH splash10-0006-9000000000-8134e1e18f736b6d7038
Source of Spectrum AA-0-190-1
Synonyms (5E)-1,5-Heptadien-3-yne (5E)-hepta-1,5-dien-3-yne (E)-hepta-1,5-dien-3-yne
Wiley ID 1138