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Diacetic acid-[9-oxabicyclo[3.3.1]non-6-en-2endo,4exo-diyl]diester
SpectraBase Compound ID Fx8u3z7jYZe
InChI InChI=1S/C12H16O5/c1-7(13)15-11-6-12(16-8(2)14)10-5-3-4-9(11)17-10/h3-4,9-12H,5-6H2,1-2H3/t9-,10+,11-,12-/m1/s1
InChIKey OUTLHFGZKBLYQD-WRWGMCAJSA-N
Mol Weight 240.25 g/mol
Molecular Formula C12H16O5
Exact Mass 240.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 94hBUftXFzI
Name Diacetic acid-[9-oxabicyclo[3.3.1]non-6-en-2endo,4exo-diyl]diester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O5
InChI InChI=1S/C12H16O5/c1-7(13)15-11-6-12(16-8(2)14)10-5-3-4-9(11)17-10/h3-4,9-12H,5-6H2,1-2H3/t9-,10+,11-,12-/m1/s1
InChIKey OUTLHFGZKBLYQD-WRWGMCAJSA-N
Literature Reference DOI 10.1002/hlca.19800630426
Molecular Weight 240.255 g/mol
SMILES [C@@]12([C@@](C[C@]([C@@](C=CC2)(O1)[H])(OC(C)=O)[H])(OC(C)=O)[H])[H]
SPLASH splash10-005c-9300000000-5bbbc86a287d2964751d
Source of Spectrum H-63-980-15
Synonyms (1S,2R,4R,5R)-9-oxabicyclo[3.3.1]non-6-ene-2,4-diyl diacetate
Wiley ID 1800045