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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) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 59OjSqr04BY
Name trans-Citral
CAS Registry Number 141-27-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name Varian CFT-20
Literature Reference F. Bohlmann, R. Zeisberg, Org. Magn. Resonance 7, 426 (1975).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3