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(R)-3-Methylhept-4-yn-1-al
SpectraBase Compound ID GQvYeL3s5Mc
InChI InChI=1S/C8H12O/c1-3-4-5-8(2)6-7-9/h7-8H,3,6H2,1-2H3/t8-/m0/s1
InChIKey CLIYPOYZWLVCOV-QMMMGPOBSA-N
Mol Weight 124.18 g/mol
Molecular Formula C8H12O
Exact Mass 124.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5OxE34RWic3
Name (R)-3-Methylhept-4-yn-1-al
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O
InChI InChI=1S/C8H12O/c1-3-4-5-8(2)6-7-9/h7-8H,3,6H2,1-2H3/t8-/m0/s1
InChIKey CLIYPOYZWLVCOV-QMMMGPOBSA-N
Ionization Type EI
Literature Reference DOI 10.1002/adsc.201900177
Molecular Weight 124.183 g/mol
SMILES C(C[C@](C#CCC)(C)[H])=O
SPLASH splash10-0a59-8900000000-20b06a3096002738c1ea
Sample Comments 70% ee
Source of Spectrum ASC-361-2646-(R)-8b
Wiley ID 1836659