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(3R, 4S)-3-[(3.xi.)-3'-Hydroxybutyl]-4-(acetoxymethyl)cyclopentanone
SpectraBase Compound ID 7Jey6r2Amcz
InChI InChI=1S/C12H20O4/c1-8(13)3-4-10-5-12(15)6-11(10)7-16-9(2)14/h8,10-11,13H,3-7H2,1-2H3/t8?,10-,11-/m0/s1
InChIKey MRMGYBFBUKUXEK-CSUXEGHOSA-N
Mol Weight 228.29 g/mol
Molecular Formula C12H20O4
Exact Mass 228.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iapv6mreUb2
Name (3R, 4S)-3-[(3.xi.)-3'-Hydroxybutyl]-4-(acetoxymethyl)cyclopentanone
Alternate Name(s) Acetic acid (1R,2S)-2-(3-hydroxy-butyl)-4-oxo-cyclopentylmethyl ester
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Formula C12H20O4
InChI InChI=1S/C12H20O4/c1-8(13)3-4-10-5-12(15)6-11(10)7-16-9(2)14/h8,10-11,13H,3-7H2,1-2H3/t8?,10-,11-/m0/s1
InChIKey MRMGYBFBUKUXEK-CSUXEGHOSA-N
Molecular Weight 228.288 g/mol
SMILES OC(CC[C@]1(CC(C[C@]1(COC(=O)C)[H])=O)[H])C
SPLASH splash10-01t9-0690000000-8e569fdb2bdc6a36b442
Source of Spectrum E1-34-555-22
Wiley ID 1710372