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(S)-4-(t-Butyl) 1-Isopropyl 2-hydroxybutane-1,4-dioic acid
SpectraBase Compound ID 4XycIJzfhNP
InChI InChI=1S/C11H20O5/c1-7(2)15-10(14)8(12)6-9(13)16-11(3,4)5/h7-8,12H,6H2,1-5H3/t8-/m0/s1
InChIKey JECBMDYHHOUACA-QMMMGPOBSA-N
Mol Weight 232.28 g/mol
Molecular Formula C11H20O5
Exact Mass 232.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7s3ymjlNWAH
Name (S)-4-(t-Butyl) 1-Isopropyl 2-hydroxybutane-1,4-dioic acid
Alternate Name(s) 4-(t-Butyl) 1-Isopropyl (2S)-2-Hydroxybutanedioate 4-(t-Butyl) 1-Isopropyl 2-hydroxybutane-1,4-dioic acid 4-tert-butyl 1-isopropyl (2S)-2-hydroxybutanedioate
Comments Less than 3 mono-isotopic peaks
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Formula C11H20O5
InChI InChI=1S/C11H20O5/c1-7(2)15-10(14)8(12)6-9(13)16-11(3,4)5/h7-8,12H,6H2,1-5H3/t8-/m0/s1
InChIKey JECBMDYHHOUACA-QMMMGPOBSA-N
Molecular Weight 232.276 g/mol
SMILES O[C@@](CC(OC(C)(C)C)=O)(C(OC(C)C)=O)[H]
SPLASH splash10-001i-0190000000-357655dd9908f86cba4d
Source of Spectrum H-85-4225-11
Wiley ID 1525123