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Diacetic acid-[9-oxabicyclo[3.3.1]nonan-2endo,4endo-diyl]diester
SpectraBase Compound ID 92TxEEPXse1
InChI InChI=1S/C12H18O5/c1-7(13)15-11-6-12(16-8(2)14)10-5-3-4-9(11)17-10/h9-12H,3-6H2,1-2H3/t9-,10+,11+,12-
InChIKey QZSSPAJUBRDWBD-IWDIQUIJSA-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 Hm9eErl8YmU
Name Diacetic acid-[9-oxabicyclo[3.3.1]nonan-2endo,4endo-diyl]diester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O5
InChI InChI=1S/C12H18O5/c1-7(13)15-11-6-12(16-8(2)14)10-5-3-4-9(11)17-10/h9-12H,3-6H2,1-2H3/t9-,10+,11+,12-
InChIKey QZSSPAJUBRDWBD-IWDIQUIJSA-N
Literature Reference DOI 10.1002/hlca.19800630426
Molecular Weight 242.271 g/mol
SMILES [C@@]12([C@@](C[C@@]([C@@](CCC2)(O1)[H])(OC(C)=O)[H])(OC(C)=O)[H])[H]
SPLASH splash10-0006-9500000000-83f370f0fe79a3c62c66
Source of Spectrum H-63-981-18
Synonyms (1R,2S,4R,5S)-9-oxabicyclo[3.3.1]nonane-2,4-diyl diacetate
Wiley ID 1800048