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(3aS*,3bR*,7aS*,8R*,8aR*)-8-Hydroxymethyl-2,2-dimethylperhydro[1,3]dioxo[4',5':3,4]cyclopenta[c]oxin-5-one
SpectraBase Compound ID HxxY0sUQmzj
InChI InChI=1S/C12H18O5/c1-12(2)16-10-6-3-9(14)15-5-8(6)7(4-13)11(10)17-12/h6-8,10-11,13H,3-5H2,1-2H3/t6?,7?,8?,10-,11+/m0/s1
InChIKey VQOYAICPMKSHDI-YKIKKVPFSA-N
Mol Weight 242.27 g/mol
Molecular Formula C12H18O5
Exact Mass 242.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CqZv65ZVgUg
Name (3aS*,3bR*,7aS*,8R*,8aR*)-8-Hydroxymethyl-2,2-dimethylperhydro[1,3]dioxo[4',5':3,4]cyclopenta[c]oxin-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O5
InChI InChI=1S/C12H18O5/c1-12(2)16-10-6-3-9(14)15-5-8(6)7(4-13)11(10)17-12/h6-8,10-11,13H,3-5H2,1-2H3/t6?,7?,8?,10-,11+/m0/s1
InChIKey VQOYAICPMKSHDI-YKIKKVPFSA-N
Molecular Weight 242.271 g/mol
SMILES OCC1[C@@]2([C@](C3C1COC(C3)=O)(OC(C)(C)O2)[H])[H]
SPLASH splash10-004i-4690000000-d1033fef807547650496
Source of Spectrum QA-46-938-12
Wiley ID 863198