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2-Heptenal, 3-(1-methylethyl)-6-oxo-, (E)-
SpectraBase Compound ID 58BU69icdwj
InChI InChI=1S/C10H16O2/c1-8(2)10(6-7-11)5-4-9(3)12/h6-8H,4-5H2,1-3H3/b10-6+
InChIKey VFTKTCGRHXCEAS-UXBLZVDNSA-N
Mol Weight 168.24 g/mol
Molecular Formula C10H16O2
Exact Mass 168.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E8C8Sm5FhLD
Name 2-Heptenal, 3-(1-methylethyl)-6-oxo-, (E)-
Alternate Name(s) (2E)-3-isopropyl-6-oxo-2-heptenal (E)-3-Isopropyl-6-oxo-2-heptenal
CAS Registry Number 70856-14-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O2
InChI InChI=1S/C10H16O2/c1-8(2)10(6-7-11)5-4-9(3)12/h6-8H,4-5H2,1-3H3/b10-6+
InChIKey VFTKTCGRHXCEAS-UXBLZVDNSA-N
Molecular Weight 168.236 g/mol
SMILES C(\C=C/(CCC(=O)C)C(C)C)=O
SPLASH splash10-0006-9300000000-6122edac3757843a173e
Source of Spectrum W5-1989-8688-1
Wiley ID 1164757