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(1R,2S,3R,4S)-4-Hydroxy-3-hydroxymethyl-2-chloromethylcyclopentanecarboxylic acid acid methyl ester
SpectraBase Compound ID 6A7WAlysEXG
InChI InChI=1S/C9H15ClO4/c1-14-9(13)5-2-8(12)7(4-11)6(5)3-10/h5-8,11-12H,2-4H2,1H3/t5-,6-,7+,8+/m1/s1
InChIKey LLXCDZZIOXCNMN-NGJRWZKOSA-N
Mol Weight 222.67 g/mol
Molecular Formula C9H15ClO4
Exact Mass 222.065887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 97Zl2xOzzoa
Name (1R,2S,3R,4S)-4-Hydroxy-3-hydroxymethyl-2-chloromethylcyclopentanecarboxylic acid acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C9H15ClO4
InChI InChI=1S/C9H15ClO4/c1-14-9(13)5-2-8(12)7(4-11)6(5)3-10/h5-8,11-12H,2-4H2,1H3/t5-,6-,7+,8+/m1/s1
InChIKey LLXCDZZIOXCNMN-NGJRWZKOSA-N
Molecular Weight 222.668 g/mol
SMILES OC[C@]1([C@@]([C@@](C[C@@]1(O)[H])(C(=O)OC)[H])(CCl)[H])[H]
SPLASH splash10-0a4i-0090000000-492068e1766dc8f8e75d
Source of Spectrum F-52-12707-3
Synonyms methyl (1R,2S,3R,4S)-2-(chloromethyl)-4-hydroxy-3-(hydroxymethyl)cyclopentanecarboxylate
Wiley ID 799095