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(2R)-2-[(2R,5S,6R)-5-methyl-6-[(1R)-1-methyl-2-oxo-ethyl]tetrahydropyran-2-yl]butanoic acid
SpectraBase Compound ID JKQYRyppUpO
InChI InChI=1S/C13H22O4/c1-4-10(13(15)16)11-6-5-8(2)12(17-11)9(3)7-14/h7-12H,4-6H2,1-3H3,(H,15,16)/t8-,9-,10+,11+,12+/m0/s1
InChIKey RBAXKBLMHFDJOU-PREPNJAASA-N
Mol Weight 242.31 g/mol
Molecular Formula C13H22O4
Exact Mass 242.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hz3nSxCGAeZ
Name (2R)-2-[(2R,5S,6R)-5-methyl-6-[(1R)-1-methyl-2-oxo-ethyl]tetrahydropyran-2-yl]butanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O4
InChI InChI=1S/C13H22O4/c1-4-10(13(15)16)11-6-5-8(2)12(17-11)9(3)7-14/h7-12H,4-6H2,1-3H3,(H,15,16)/t8-,9-,10+,11+,12+/m0/s1
InChIKey RBAXKBLMHFDJOU-PREPNJAASA-N
Molecular Weight 242.315 g/mol
SMILES OC([C@@]([C@@]1(O[C@@]([C@](C=O)(C)[H])([C@](CC1)(C)[H])[H])[H])(CC)[H])=O
SPLASH splash10-001i-9200000000-b096f444af22f20ec39e
Source of Spectrum E1-37-1702-2
Synonyms (2R)-2-[(2R,5S,6R)-5-methyl-6-[(2R)-1-oxidanylidenepropan-2-yl]oxan-2-yl]butanoic acid (2R)-2-[(2R,5S,6R)-5-methyl-6-[(2R)-1-oxopropan-2-yl]-2-oxanyl]butanoic acid (2R)-2-[(2R,5S,6R)-5-methyl-6-[(2R)-1-oxopropan-2-yl]oxan-2-yl]butanoic acid (2R)-2-[(2R,5S,6R)-6-[(1R)-2-keto-1-methyl-ethyl]-5-methyl-tetrahydropyran-2-yl]butyric acid
Wiley ID 1517793