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Methyl 2-[3-(-Hydroxymethyl)-2,4-dimethyl-1-oxocyclopent-5-yl]propanoate
SpectraBase Compound ID GFFUdtlAETE
InChI InChI=1S/C12H18O4/c1-6-9(5-13)7(2)11(14)10(6)8(3)12(15)16-4/h6,8,10,13H,5H2,1-4H3/t6-,8-,10+/m1/s1
InChIKey QWSCVLJKLIKVIF-YNEQXMIYSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1JxdcoaBBQT
Name Methyl 2-[3-(-Hydroxymethyl)-2,4-dimethyl-1-oxocyclopent-5-yl]propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-6-9(5-13)7(2)11(14)10(6)8(3)12(15)16-4/h6,8,10,13H,5H2,1-4H3/t6-,8-,10+/m1/s1
InChIKey QWSCVLJKLIKVIF-YNEQXMIYSA-N
Molecular Weight 226.272 g/mol
SMILES OCC1=C(C([C@@]([C@@]1(C)[H])([C@](C(=O)OC)(C)[H])[H])=O)C
SPLASH splash10-014j-5900000000-f2e10ae6474d3d70e63f
Source of Spectrum F-48-3160-34
Synonyms (R)-2-((2S,5S)-3-Hydroxymethyl-2,4-dimethyl-5-oxo-cyclopent-3-enyl)-propionic acid methyl ester
Wiley ID 1227380