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trans-5,6-Diacetoxycyclooctane-1,2-dione
SpectraBase Compound ID 27kssfp6Qyf
InChI InChI=1S/C12H16O6/c1-7(13)17-11-5-3-9(15)10(16)4-6-12(11)18-8(2)14/h11-12H,3-6H2,1-2H3/t11-,12-/m0/s1
InChIKey QZLOWTFPIOAPKV-RYUDHWBXSA-N
Mol Weight 256.25 g/mol
Molecular Formula C12H16O6
Exact Mass 256.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2HASSrMQHst
Name trans-5,6-Diacetoxycyclooctane-1,2-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O6
InChI InChI=1S/C12H16O6/c1-7(13)17-11-5-3-9(15)10(16)4-6-12(11)18-8(2)14/h11-12H,3-6H2,1-2H3/t11-,12-/m0/s1
InChIKey QZLOWTFPIOAPKV-RYUDHWBXSA-N
Instrument Name Agilent Technology HP 5973
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0009.e17
Molecular Weight 256.254 g/mol
SMILES [C@@]1([C@](CCC(C(CC1)=O)=O)(OC(C)=O)[H])(OC(C)=O)[H]
SPLASH splash10-0229-0990000000-d691d21cda229a38a78d
Source of Spectrum ARK-2008-177-22
Wiley ID 1869210