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ethyl (4S,5S)-4,5-dimethyl-6-phenyl-hex-2-enoate
SpectraBase Compound ID 5Hma0mIbmHO
InChI InChI=1S/C16H22O2/c1-4-18-16(17)11-10-13(2)14(3)12-15-8-6-5-7-9-15/h5-11,13-14H,4,12H2,1-3H3/t13-,14+/m1/s1
InChIKey JLXCRIGZPLRBML-KGLIPLIRSA-N
Mol Weight 246.35 g/mol
Molecular Formula C16H22O2
Exact Mass 246.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AxpunOxSYnT
Name ethyl (4S,5S)-4,5-dimethyl-6-phenyl-hex-2-enoate
Appearance Colorless oil
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Formula C16H22O2
InChI InChI=1S/C16H22O2/c1-4-18-16(17)11-10-13(2)14(3)12-15-8-6-5-7-9-15/h5-11,13-14H,4,12H2,1-3H3/t13-,14+/m1/s1
InChIKey JLXCRIGZPLRBML-KGLIPLIRSA-N
Instrument Name FINNIGAN MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/chem.202002297
Molecular Weight 246.350 g/mol
Reported Formula C16H22O2
SMILES C(=C[C@]([C@](Cc1ccccc1)(C)[H])(C)[H])C(=O)OCC
SPLASH splash10-0zi3-3900000000-9bbdb15afa729c63d36c
Sample Comments dr = 5:95
Source of Spectrum QE-76-SM23-anti-3g
Wiley ID 1843554