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(1R,2R,6S,7S,8S,9R)-5-Hydroxymethyl-8,9-O-isopropylidenedioxy-4-oxatricyclo[5.2.1.0(2,6)]decan-3-one
SpectraBase Compound ID 4wI7uQLKMtg
InChI InChI=1S/C13H18O5/c1-13(2)17-10-5-3-6(11(10)18-13)9-8(5)7(4-14)16-12(9)15/h5-11,14H,3-4H2,1-2H3/t5-,6+,7+,8+,9+,10-,11+/m0/s1
InChIKey PQFOMTSJFDRMDY-YGWHWJNPSA-N
Mol Weight 254.28 g/mol
Molecular Formula C13H18O5
Exact Mass 254.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DrNTG4CIzfq
Name (1R,2R,6S,7S,8S,9R)-5-Hydroxymethyl-8,9-O-isopropylidenedioxy-4-oxatricyclo[5.2.1.0(2,6)]decan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O5
InChI InChI=1S/C13H18O5/c1-13(2)17-10-5-3-6(11(10)18-13)9-8(5)7(4-14)16-12(9)15/h5-11,14H,3-4H2,1-2H3/t5-,6+,7+,8+,9+,10-,11+/m0/s1
InChIKey PQFOMTSJFDRMDY-YGWHWJNPSA-N
Molecular Weight 254.282 g/mol
SMILES OC[C@@]1([C@@]2([C@](C(O1)=O)([C@@]1([C@@]3([C@@](OC(O3)(C)C)([C@]2(C1)[H])[H])[H])[H])[H])[H])[H]
SPLASH splash10-054x-9050000000-fe44d3ac89a9dc66d353
Source of Spectrum QC-4-678-18
Wiley ID 883184