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 |