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(4R,5S,6R)-Methyl 4-methyl-5-formyl-6-[(methoxycarbonyl)methyl]-3-oxa-1-cyclohexene-1-carboxylate

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(4R,5S,6R)-Methyl 4-methyl-5-formyl-6-[(methoxycarbonyl)methyl]-3-oxa-1-cyclohexene-1-carboxylate
SpectraBase Compound ID LgAMhLLyaak
InChI InChI=1S/C12H16O6/c1-7-9(5-13)8(4-11(14)16-2)10(6-18-7)12(15)17-3/h5-9H,4H2,1-3H3/t7-,8-,9-/m1/s1
InChIKey NTCBDZLDJOMIAC-IWSPIJDZSA-N
Mol Weight 256.25 g/mol
Molecular Formula C12H16O6
Exact Mass 256.094688 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3uRm5zA74HE
Name (4R,5S,6R)-Methyl 4-methyl-5-formyl-6-[(methoxycarbonyl)methyl]-3-oxa-1-cyclohexene-1-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.094688229 u
Formula C12H16O6
InChI InChI=1S/C12H16O6/c1-7-9(5-13)8(4-11(14)16-2)10(6-18-7)12(15)17-3/h5-9H,4H2,1-3H3/t7-,8-,9-/m1/s1
InChIKey NTCBDZLDJOMIAC-IWSPIJDZSA-N
Molecular Weight 256.254 g/mol
SMILES C=1([C@@]([C@@](C=O)([H])[C@](OC1)(C)[H])(CC(=O)OC)[H])C(=O)OC