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(1S,4R)-cis-1-(2-13C-Acetoxy)-4-acetoxycyclopent-2-ene
SpectraBase Compound ID KJRdf3uNFeR
InChI InChI=1S/C9H12O4/c1-6(10)12-8-3-4-9(5-8)13-7(2)11/h3-4,8-9H,5H2,1-2H3/t8-,9+/i1+1/m1/s1
InChIKey UKPIBFMHHUEUQR-UBWALRQCSA-N
Mol Weight 185.18 g/mol
Molecular Formula C813CH12O4
Exact Mass 185.076914 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HeFPtoaWaDA
Name (1S,4R)-cis-1-(2-13C-Acetoxy)-4-acetoxycyclopent-2-ene
Comments Original formula: C8[13C]H12O4
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Formula C9H12O4
InChI InChI=1S/C9H12O4/c1-6(10)12-8-3-4-9(5-8)13-7(2)11/h3-4,8-9H,5H2,1-2H3/t8-,9+/i1+1/m1/s1
InChIKey UKPIBFMHHUEUQR-UBWALRQCSA-N
Literature Reference DOI 10.1002_1615-4169(200210)344_9_1008
Molecular Weight 185.183 g/mol
SMILES [13CH3]C(O[C@]1(C[C@](C=C1)(OC(C)=O)[H])[H])=O
SPLASH splash10-001i-9000000000-db11b1747081ebd0cda8
Source of Spectrum ASC-344-1014-(1S,4R)_13C_7
Wiley ID 1767343