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ethyl (2S,3S)-2,3-dimethylhex-5-enoate
SpectraBase Compound ID 5lZ7bB6F9Go
InChI InChI=1S/C10H18O2/c1-5-7-8(3)9(4)10(11)12-6-2/h5,8-9H,1,6-7H2,2-4H3/t8-,9-/m0/s1
InChIKey QNDTXNMTKCPFMA-IUCAKERBSA-N
Mol Weight 170.25 g/mol
Molecular Formula C10H18O2
Exact Mass 170.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Qs2OSttUEf
Name ethyl (2S,3S)-2,3-dimethylhex-5-enoate
Appearance Colorless oil
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Exact Mass 170.130679818 u
Formula C10H18O2
InChI InChI=1S/C10H18O2/c1-5-7-8(3)9(4)10(11)12-6-2/h5,8-9H,1,6-7H2,2-4H3/t8-,9-/m0/s1
InChIKey QNDTXNMTKCPFMA-IUCAKERBSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90 or JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201601911
Molecular Weight 170.252 g/mol
Quality 273
Reported Formula C10H18O2
SMILES C([C@@]([C@@](C(OCC)=O)(C)[H])(C)[H])C=C
SPLASH splash10-0zfr-1900000000-e966921ee0b2facea7b8
Sample Comments dr = 96:4
Source of Spectrum QE-22-SM37-anti-1d (DOI: 10.1002/chem.201601911)
Wiley ID 1903499