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CHDM diacetate derivative, cis isomer

View entire compound with spectra: 1 MS (GC)

CHDM diacetate derivative, cis isomer
SpectraBase Compound ID 3NMoWYF7BRm
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-TXEJJXNPSA-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 JCd9BpRZqND
Name CHDM diacetate derivative, cis isomer
CAS Registry Number 10412-77-8
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-TXEJJXNPSA-N
Molecular Weight 228.288 g/mol
SMILES C1[C@](COC(C)=O)(CC[C@@](C1)(COC(C)=O)[H])[H]
SPLASH splash10-0006-9200000000-c52edaf28a40a493c3c2
Source of Spectrum JX-2011-167
Wiley ID 1660363