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1,6-Heptadiene
SpectraBase Compound ID 95fiz9mYL1F
InChI InChI=1S/C7H12/c1-3-5-7-6-4-2/h3-4H,1-2,5-7H2
InChIKey GEAWFZNTIFJMHR-UHFFFAOYSA-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 4nCZjN7skMA
Name 1,6-Heptadiene
Alternate Name(s) CH2=CH(CH2)3CH=CH2 Hepta-1,6-diene
CAS Registry Number 3070-53-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12
InChI InChI=1S/C7H12/c1-3-5-7-6-4-2/h3-4H,1-2,5-7H2
InChIKey GEAWFZNTIFJMHR-UHFFFAOYSA-N
Molecular Weight 96.173 g/mol
SMILES C=CCCCC=C
SPLASH splash10-0zi0-9000000000-e9f4ee7a2662d6d21348
Source of Spectrum HE-1982-0-0
Wiley ID 1118243