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Citral
SpectraBase Compound ID 3P2pg7FgUpB
InChI InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3
InChIKey WTEVQBCEXWBHNA-UHFFFAOYSA-N
Mol Weight 152.24 g/mol
Molecular Formula C10H16O
Exact Mass 152.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6bzW4KbMFvn
Name Geranial
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O
InChI InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3
InChIKey WTEVQBCEXWBHNA-UHFFFAOYSA-N
Instrument Name Thermo Scientific DSQII
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.1c00567
Molecular Weight 152.237 g/mol
SMILES CC(=CCCC(C)=CC=O)C
SPLASH splash10-014i-9100000000-00a58637b040890208cf
Sample Comments E/Z = 95:5
Source of Spectrum G4-84-SM7-Geranial
Wiley ID 1884127