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1-Pentalenecarboxylic acid, 6-(acetyloxy)octahydro-2-oxo-, methyl ester, (3a.alpha.,6.alpha.,6a.alpha.)-
SpectraBase Compound ID CC3tGr6nkFL
InChI InChI=1S/C12H16O5/c1-6(13)17-9-4-3-7-5-8(14)11(10(7)9)12(15)16-2/h7,9-11H,3-5H2,1-2H3/t7-,9+,10+,11?/m1/s1
InChIKey XDZNUJZIMCURJM-YDQXZVTASA-N
Mol Weight 240.25 g/mol
Molecular Formula C12H16O5
Exact Mass 240.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AAsSADXWEKh
Name 1-Pentalenecarboxylic acid, 6-(acetyloxy)octahydro-2-oxo-, methyl ester, (3a.alpha.,6.alpha.,6a.alpha.)-
Alternate Name(s) 6.beta.-acetoxy-4.beta.-methoxycarbonyl-cis-bicyclo[3.3.0]octan-3-one Methyl (3aR,6S,6aR)-6-(acetyloxy)-2-oxooctahydro-1-pentalenecarboxylate
CAS Registry Number 79248-29-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O5
InChI InChI=1S/C12H16O5/c1-6(13)17-9-4-3-7-5-8(14)11(10(7)9)12(15)16-2/h7,9-11H,3-5H2,1-2H3/t7-,9+,10+,11?/m1/s1
InChIKey XDZNUJZIMCURJM-YDQXZVTASA-N
Molecular Weight 240.255 g/mol
SMILES C1(C(C[C@@]2([C@]1([C@@](OC(=O)C)(CC2)[H])[H])[H])=O)C(=O)OC
SPLASH splash10-0002-0900000000-c3821c07ae2195e6abfe
Source of Spectrum F-37-2083-0
Wiley ID 1242654