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(1S,2S,4S,6S)-2-benzoyloxymethyl-4-isopropoxy-8-oxo-3,7-dioxabicyclo[4,3,0] nonane
SpectraBase Compound ID Ezwik6MeTyV
InChI InChI=1S/C18H22O6/c1-11(2)22-17-9-14-13(8-16(19)23-14)15(24-17)10-21-18(20)12-6-4-3-5-7-12/h3-7,11,13-15,17H,8-10H2,1-2H3/t13-,14-,15+,17-/m0/s1
InChIKey QUVHLYTXRFZJEI-MPTYRVRUSA-N
Mol Weight 334.37 g/mol
Molecular Formula C18H22O6
Exact Mass 334.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EutRSxFsE15
Name (1S,2S,4S,6S)-2-benzoyloxymethyl-4-isopropoxy-8-oxo-3,7-dioxabicyclo[4,3,0] nonane
Alternate Name(s) 2-[(Benzoyloxy)methyl]-4-isopropoxy-8-oxo-3,7-dioxabicyclo[4.3.0]nonane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O6
InChI InChI=1S/C18H22O6/c1-11(2)22-17-9-14-13(8-16(19)23-14)15(24-17)10-21-18(20)12-6-4-3-5-7-12/h3-7,11,13-15,17H,8-10H2,1-2H3/t13-,14-,15+,17-/m0/s1
InChIKey QUVHLYTXRFZJEI-MPTYRVRUSA-N
Molecular Weight 334.368 g/mol
SMILES [C@]12([C@@]([C@@](COC(=O)c3ccccc3)(O[C@@](C1)(OC(C)C)[H])[H])(CC(O2)=O)[H])[H]
SPLASH splash10-0a4i-0910000000-fc23963ea3285efa0290
Source of Spectrum SK-25-1471-5
Wiley ID 866704