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1,2,5-Heptatriene, 4-methyl-, (E)-(.+-.)-
SpectraBase Compound ID 8rScW1fhiYy
InChI InChI=1S/C8H12/c1-4-6-8(3)7-5-2/h5-8H,1H2,2-3H3/b7-5+
InChIKey PUZFRPGPXNJKKC-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 EutBUx66Nk1
Name 1,2,5-Heptatriene, 4-methyl-, (E)-(.+-.)-
Alternate Name(s) (5E)-4-methyl-1,2,5-heptatriene (E)-4-Methylhepta-1,2,5-triene
CAS Registry Number 128386-70-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12
InChI InChI=1S/C8H12/c1-4-6-8(3)7-5-2/h5-8H,1H2,2-3H3/b7-5+
InChIKey PUZFRPGPXNJKKC-FNORWQNLSA-N
Molecular Weight 108.184 g/mol
SMILES C(=C=C)C(\C=C\C)C
SPLASH splash10-0006-9000000000-c925a9af3691869ef5d4
Source of Spectrum C-112-5983-0
Wiley ID 1122025