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CHDM diacetate derivative, trans isomer
SpectraBase Compound ID C68xUm4XoYL
InChI InChI=1S/C12H20O4/c1-9(13)15-7-11-3-5-12(6-4-11)8-16-10(2)14/h11-12H,3-8H2,1-2H3/t11-,12-
InChIKey NNCDHEJIRBOLSS-HAQNSBGRSA-N
Mol Weight 228.29 g/mol
Molecular Formula C12H20O4
Exact Mass 228.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AIUoCepeOFN
Name CHDM diacetate derivative, trans isomer
CAS Registry Number 10412-78-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O4
InChI InChI=1S/C12H20O4/c1-9(13)15-7-11-3-5-12(6-4-11)8-16-10(2)14/h11-12H,3-8H2,1-2H3/t11-,12-
InChIKey NNCDHEJIRBOLSS-HAQNSBGRSA-N
Molecular Weight 228.288 g/mol
SMILES C1[C@](COC(C)=O)(CC[C@](C1)(COC(C)=O)[H])[H]
SPLASH splash10-0006-9100000000-cb717e8f5db7e86e6c98
Source of Spectrum JX-2011-168
Synonyms trans-1,4-Cyclohexanedimethanol diacetate
Wiley ID 1660364