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E-CITRAL
SpectraBase Compound ID JhpjZgVeJEI
InChI InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+
InChIKey WTEVQBCEXWBHNA-JXMROGBWSA-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 DkVGEo4eGIa
Name Citral
CAS Registry Number 5392-40-5
Classification Chemical
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 152.120115134 u
Formula C10H16O
InChI InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+
InChIKey WTEVQBCEXWBHNA-JXMROGBWSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 152.237 g/mol
Nominal Mass 152 u
Quality 989
Retention Index 1057
SMILES C(\C(=C\C=O)C)CC=C(C)C
SPLASH splash10-014l-9100000000-053ef7824f832d4b09d5
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3,7-Dimethylocta-2,6-dienal
Technique GC/MS
Wiley ID DD2024_019251