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4-Hexenal, 3-methyl-, [R-(E)]-
SpectraBase Compound ID 3un2XGGq1nq
InChI InChI=1S/C7H12O/c1-3-4-7(2)5-6-8/h3-4,6-7H,5H2,1-2H3/b4-3+/t7-/m0/s1
InChIKey SFHNIEDUPNZZLF-SDLBARTOSA-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 B8eA8CksPtf
Name 4-Hexenal, 3-methyl-, [R-(E)]-
CAS Registry Number 128386-74-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O
InChI InChI=1S/C7H12O/c1-3-4-7(2)5-6-8/h3-4,6-7H,5H2,1-2H3/b4-3+/t7-/m0/s1
InChIKey SFHNIEDUPNZZLF-SDLBARTOSA-N
Molecular Weight 112.172 g/mol
SMILES C\C=C\[C@@](CC=O)(C)[H]
SPLASH splash10-05mp-9000000000-320ccc6f017326d02331
Source of Spectrum C-112-5984-38
Synonyms (3R,4E)-3-methyl-4-hexenal trans-3-methyl-4-hexenal
Wiley ID 1123495