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4,6-bis(Methoxycarbonyl)-3-methyl-7-hydroxy-(perhydro)-cyclopenta[3,4-a]pyran-2-one
SpectraBase Compound ID 5yiq1SIotsO
InChI InChI=1S/C13H18O7/c1-5-8(19-6(2)14)4-7-9(5)12(16)20-13(17)10(7)11(15)18-3/h5,7-10,13,17H,4H2,1-3H3/t5-,7-,8-,9+,10?,13?/m0/s1
InChIKey XJKNMHXREZWHNA-SGUZJQNFSA-N
Mol Weight 286.28 g/mol
Molecular Formula C13H18O7
Exact Mass 286.105253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2piCjmgiH5o
Name 4,6-bis(Methoxycarbonyl)-3-methyl-7-hydroxy-(perhydro)-cyclopenta[3,4-a]pyran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O7
InChI InChI=1S/C13H18O7/c1-5-8(19-6(2)14)4-7-9(5)12(16)20-13(17)10(7)11(15)18-3/h5,7-10,13,17H,4H2,1-3H3/t5-,7-,8-,9+,10?,13?/m0/s1
InChIKey XJKNMHXREZWHNA-SGUZJQNFSA-N
Molecular Weight 286.280 g/mol
SMILES OC1OC([C@]2([C@@](C1C(=O)OC)(C[C@@]([C@@]2(C)[H])(OC(=O)C)[H])[H])[H])=O
SPLASH splash10-0006-9000000000-0c5d7712723da926b959
Source of Spectrum X2-48-91-11
Wiley ID 1601620