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(3aR*,5R*,6S*,6aS*)-5-Acetyl-6-hydroxyhexahydro-2H-cyclopenta[b]furan-2-one
SpectraBase Compound ID F47uUkwqh4K
InChI InChI=1S/C9H12O4/c1-4(10)6-2-5-3-7(11)13-9(5)8(6)12/h5-6,8-9,12H,2-3H2,1H3/t5-,6+,8+,9+/m1/s1
InChIKey JNACLQZZNRFLSM-OVLTXKMTSA-N
Mol Weight 184.19 g/mol
Molecular Formula C9H12O4
Exact Mass 184.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2AaxUVpyO6T
Name (3aR*,5R*,6S*,6aS*)-5-Acetyl-6-hydroxyhexahydro-2H-cyclopenta[b]furan-2-one
Appearance Pale yellow oil
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Formula C9H12O4
InChI InChI=1S/C9H12O4/c1-4(10)6-2-5-3-7(11)13-9(5)8(6)12/h5-6,8-9,12H,2-3H2,1H3/t5-,6+,8+,9+/m1/s1
InChIKey JNACLQZZNRFLSM-OVLTXKMTSA-N
Instrument Name Hewlett-Packard 5971A or Thermo-Finnigan Polaris Q or Jeol JSM-GCMat-eII or JMS-SX 102
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2017.08.008
Molecular Weight 184.191 g/mol
Reported Formula C9H12O4
SMILES O[C@]1([C@@](C[C@]2([C@@]1(OC(C2)=O)[H])[H])(C(C)=O)[H])[H]
SPLASH splash10-004i-9500000000-88ea56c828f9b96feb14
Source of Spectrum AJC-13-911-26
Thin-Layer Chromatography Rf = 0.18 (hexane/EtOAc, 7:3)
Wiley ID 1857425