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(1S,5R,7R)-5-Methyl-2,4-dioxatricyclo[5.5.0.0(1,5)]dodecan-3-one
SpectraBase Compound ID ARQQJhipzsR
InChI InChI=1S/C11H16O3/c1-10-7-8-5-3-2-4-6-11(8,10)14-9(12)13-10/h8H,2-7H2,1H3/t8-,10-,11+/m1/s1
InChIKey HATOYKVQCVIVRI-IEBDPFPHSA-N
Mol Weight 196.25 g/mol
Molecular Formula C11H16O3
Exact Mass 196.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID uwP4DvPO4
Name (1S,5R,7R)-5-Methyl-2,4-dioxatricyclo[5.5.0.0(1,5)]dodecan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O3
InChI InChI=1S/C11H16O3/c1-10-7-8-5-3-2-4-6-11(8,10)14-9(12)13-10/h8H,2-7H2,1H3/t8-,10-,11+/m1/s1
InChIKey HATOYKVQCVIVRI-IEBDPFPHSA-N
Molecular Weight 196.246 g/mol
SMILES [C@@]12([C@]3(OC(O2)=O)CCCCC[C@@]3(C1)[H])C
SPLASH splash10-066r-9500000000-46c38fa4862c8854be18
Source of Spectrum F-52-11795-5
Synonyms (1,5-cis,1,7-trans)-5-Methyl-2,4-dioxatricyclo[5.5.0.0(1,5)]dodecan-3-one (3aR,4aR,9aS)-3a-methyloctahydrocyclohepta[2,3]cyclobuta[1,2-d][1,3]dioxol-2-one
Wiley ID 798684