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(E)-hept-2-enal

View entire compound with spectra: 3 NMR, 6 FTIR, 2 Raman, and 17 MS (GC)

(E)-hept-2-enal
SpectraBase Compound ID 2cNZw7wQrQu
InChI InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5+
InChIKey NDFKTBCGKNOHPJ-AATRIKPKSA-N
Mol Weight 112.17 g/mol
Molecular Formula C7H12O
Exact Mass 112.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BcXLYPHc7gv
Name (E)-hept-2-enal
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O
InChI InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5+
InChIKey NDFKTBCGKNOHPJ-AATRIKPKSA-N
Literature Reference DOI 10.1016/j.phytochem.2013.08.011
Molecular Weight 112.172 g/mol
SMILES C(\C=C\CCCC)=O
SPLASH splash10-0a4l-9000000000-c670ef532597655c54bb
Source of Spectrum Mariana Gil, et al. Phytochemistry, 10.1016/j.phytochem.2013.08.011
Wiley ID 1817175