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6-Oxabicyclo[3.2.1]octan-7-one, 1,3,4-trihydroxy-, [1S-(exo,exo)]-
SpectraBase Compound ID 1MASLLBUasU
InChI InChI=1S/C7H10O5/c8-3-1-7(11)2-4(5(3)9)12-6(7)10/h3-5,8-9,11H,1-2H2/t3?,4?,5?,7-/m0/s1
InChIKey QPJRIFFWEBJVFN-IBWRONGTSA-N
Mol Weight 174.15 g/mol
Molecular Formula C7H10O5
Exact Mass 174.052823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EzNgg0nmW0b
Name 6-Oxabicyclo[3.2.1]octan-7-one, 1,3,4-trihydroxy-, [1S-(exo,exo)]-
Alternate Name(s) (1S)-1,3,4-trihydroxy-6-oxabicyclo[3.2.1]octan-7-one (1S,3R,4R,5R)-Quinude
CAS Registry Number 665-27-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H10O5
InChI InChI=1S/C7H10O5/c8-3-1-7(11)2-4(5(3)9)12-6(7)10/h3-5,8-9,11H,1-2H2/t3?,4?,5?,7-/m0/s1
InChIKey QPJRIFFWEBJVFN-IBWRONGTSA-N
Molecular Weight 174.152 g/mol
SMILES OC1C(C2OC([C@@](C2)(C1)O)=O)O
SPLASH splash10-03di-9100000000-cbf7975ecd1cabbafb4f
Source of Spectrum F-46-4146-6
Wiley ID 1170134