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Benzoic acid, 2-(2-hydroxy-1-methylpropyl)-4,6-dimethoxy-, ethyl ester, (R*,S*)-(.+-.)-
SpectraBase Compound ID GIW6wiVRSII
InChI InChI=1S/C15H22O5/c1-6-20-15(17)14-12(9(2)10(3)16)7-11(18-4)8-13(14)19-5/h7-10,16H,6H2,1-5H3/t9-,10-/m1/s1
InChIKey HABGLGAJTAJPAC-NXEZZACHSA-N
Mol Weight 282.34 g/mol
Molecular Formula C15H22O5
Exact Mass 282.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H1Kq9kMZDbb
Name Benzoic acid, 2-(2-hydroxy-1-methylpropyl)-4,6-dimethoxy-, ethyl ester, (R*,S*)-(.+-.)-
Alternate Name(s) Ethyl (+)-Threo-2-(2-hydroxy-1-methylpropyl)-4,6-dimethoxybenzoate Ethyl (+-)-threo-2-(2-hydroxy-1-methylpropyl)-4,6-dimethoxybenzoate Ethyl 2-[(1S,2R)-2-hydroxy-1-methylpropyl]-4,6-dimethoxybenzoate
CAS Registry Number 110087-15-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O5
InChI InChI=1S/C15H22O5/c1-6-20-15(17)14-12(9(2)10(3)16)7-11(18-4)8-13(14)19-5/h7-10,16H,6H2,1-5H3/t9-,10-/m1/s1
InChIKey HABGLGAJTAJPAC-NXEZZACHSA-N
Molecular Weight 282.336 g/mol
SMILES O[C@@]([C@](c1c(c(cc(OC)c1)OC)C(=O)OCC)(C)[H])(C)[H]
SPLASH splash10-0006-0940000000-7480b5a8c1a566065ea2
Source of Spectrum KC-1986-2107-7
Wiley ID 1285799