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ethyl (4R,6S)-3,4-dimethyl-6-phenyl-hept-2-enoate
SpectraBase Compound ID QTd0t4Jexd
InChI InChI=1S/C17H24O2/c1-5-19-17(18)12-14(3)13(2)11-15(4)16-9-7-6-8-10-16/h6-10,12-13,15H,5,11H2,1-4H3/t13-,15+/m1/s1
InChIKey HQMKZZZNFXXEJX-HIFRSBDPSA-N
Mol Weight 260.38 g/mol
Molecular Formula C17H24O2
Exact Mass 260.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I60pSnfsUUh
Name ethyl (4R,6S)-3,4-dimethyl-6-phenyl-hept-2-enoate
Appearance Colorless oil
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Formula C17H24O2
InChI InChI=1S/C17H24O2/c1-5-19-17(18)12-14(3)13(2)11-15(4)16-9-7-6-8-10-16/h6-10,12-13,15H,5,11H2,1-4H3/t13-,15+/m1/s1
InChIKey HQMKZZZNFXXEJX-HIFRSBDPSA-N
Instrument Name FINNIGAN MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/chem.202002297
Molecular Weight 260.377 g/mol
Reported Formula C17H24O2
SMILES c1([C@@](C)(C[C@](C(=CC(OCC)=O)C)(C)[H])[H])ccccc1
SPLASH splash10-0006-0900000000-a027fb0e5ef3dc55e055
Sample Comments dr = 94:6, E/Z = >1:99, E/Z = >1:99
Source of Spectrum QE-76-SM20-syn-3e
Wiley ID 1843560