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4,6-Dimethyl-3,7,9-trioxabicyclo[4.2.1]nonane
SpectraBase Compound ID 44QalMFPtlg
InChI InChI=1S/C8H14O3/c1-6-3-8(2)10-5-7(11-8)4-9-6/h6-7H,3-5H2,1-2H3/t6?,7-,8+/m0/s1
InChIKey BTDVULUNRUYYCL-ZHFSPANRSA-N
Mol Weight 158.2 g/mol
Molecular Formula C8H14O3
Exact Mass 158.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FGfwnRRqwOY
Name 4,6-Dimethyl-3,7,9-trioxabicyclo[4.2.1]nonane
CAS Registry Number 54505-49-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O3
InChI InChI=1S/C8H14O3/c1-6-3-8(2)10-5-7(11-8)4-9-6/h6-7H,3-5H2,1-2H3/t6?,7-,8+/m0/s1
InChIKey BTDVULUNRUYYCL-ZHFSPANRSA-N
Molecular Weight 158.197 g/mol
SMILES C1[C@@]2(OC[C@](COC1C)(O2)[H])C
SPLASH splash10-0006-9100000000-df50908136bc7d45bbc8
Source of Spectrum O-11-1040-1
Synonyms cis-4,6-Dimethyl-3,7,9-trioxabicyclo[4.2.1]nonane trans-4,6-Dimethyl-3,7,9-trioxabicyclo[4.2.1]nonane
Wiley ID 1155207