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E-CITRAL

View entire compound with spectra: 22 NMR, 9 FTIR, and 52 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BuzYLRVpn0E
Name Citral
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number C83007
CAS Registry Number 5392-40-5
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 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/b10-7+
InChIKey WTEVQBCEXWBHNA-JXMROGBWSA-N
Observed nucleus 13C
Purity 95%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 3,7-Dimethyl-2,6-octadienal; Geranial and neral mixture
Wiley ID SIAL_13CNMR_011235