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(2R,3R)-2-[(1R)-1-hydroxyethyl]-3-methyl-enanthic acid
SpectraBase Compound ID B0vChBQFgSC
InChI InChI=1S/C10H20O3/c1-4-5-6-7(2)9(8(3)11)10(12)13/h7-9,11H,4-6H2,1-3H3,(H,12,13)/t7-,8-,9-/m1/s1
InChIKey WYOVZLRNBXVPHM-IWSPIJDZSA-N
Mol Weight 188.27 g/mol
Molecular Formula C10H20O3
Exact Mass 188.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Phot5DNnvp
Name (2R,3R)-2-[(1R)-1-hydroxyethyl]-3-methyl-enanthic acid
CAS Registry Number 129388-46-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H20O3
InChI InChI=1S/C10H20O3/c1-4-5-6-7(2)9(8(3)11)10(12)13/h7-9,11H,4-6H2,1-3H3,(H,12,13)/t7-,8-,9-/m1/s1
InChIKey WYOVZLRNBXVPHM-IWSPIJDZSA-N
Molecular Weight 188.267 g/mol
SMILES OC([C@@]([C@](O)(C)[H])([C@@](CCCC)(C)[H])[H])=O
SPLASH splash10-000l-9000000000-a4e0aa175a01f49272f7
Source of Spectrum K-123-2426-47
Synonyms (2R,3R)-2-[(1R)-1-hydroxyethyl]-3-methyl-heptanoic acid (2R,3R)-3-methyl-2-[(1R)-1-oxidanylethyl]heptanoic acid
Wiley ID 1184649