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(2R)-2-[(1R)-1-hydroxy-2,2-dimethyl-propyl]pent-4-enoic acid ethyl ester
SpectraBase Compound ID 7IU2NSzQz8c
InChI InChI=1S/C12H22O3/c1-6-8-9(11(14)15-7-2)10(13)12(3,4)5/h6,9-10,13H,1,7-8H2,2-5H3/t9-,10-/m1/s1
InChIKey VRXAYMLXMUDKNE-NXEZZACHSA-N
Mol Weight 214.3 g/mol
Molecular Formula C12H22O3
Exact Mass 214.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6EFWSbLgi8k
Name (2R)-2-[(1R)-1-hydroxy-2,2-dimethyl-propyl]pent-4-enoic acid ethyl ester
Alternate Name(s) (2R)-2-[(1R)-1-hydroxy-2,2-dimethylpropyl]-4-pentenoic acid ethyl ester ethyl (2R)-2-[(1R)-1-hydroxy-2,2-dimethyl-propyl]pent-4-enoate ethyl (2R)-2-[(1R)-2,2-dimethyl-1-oxidanyl-propyl]pent-4-enoate
Comments Less than 3 mono-isotopic peaks
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Formula C12H22O3
InChI InChI=1S/C12H22O3/c1-6-8-9(11(14)15-7-2)10(13)12(3,4)5/h6,9-10,13H,1,7-8H2,2-5H3/t9-,10-/m1/s1
InChIKey VRXAYMLXMUDKNE-NXEZZACHSA-N
Molecular Weight 214.305 g/mol
SMILES O[C@]([C@](C(=O)OCC)(CC=C)[H])(C(C)(C)C)[H]
SPLASH splash10-00di-0910000000-7e4a03905fdf626e4c68
Source of Spectrum J-57-4469-43
Wiley ID 1213646