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(1S,5R,7S)-5-Methyl-2,4-dioxatricyclo[5.3.0.0(1,5)]decan-3-one
SpectraBase Compound ID BdFJmFSttGW
InChI InChI=1S/C9H12O3/c1-8-5-6-3-2-4-9(6,8)12-7(10)11-8/h6H,2-5H2,1H3/t6-,8+,9-/m0/s1
InChIKey FRGQUDMOKXJMSN-ZQARSLAVSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 88njjNueFtD
Name (1S,5R,7S)-5-Methyl-2,4-dioxatricyclo[5.3.0.0(1,5)]decan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O3
InChI InChI=1S/C9H12O3/c1-8-5-6-3-2-4-9(6,8)12-7(10)11-8/h6H,2-5H2,1H3/t6-,8+,9-/m0/s1
InChIKey FRGQUDMOKXJMSN-ZQARSLAVSA-N
Molecular Weight 168.192 g/mol
SMILES [C@@]12([C@]3(OC(O2)=O)CCC[C@]3(C1)[H])C
SPLASH splash10-015a-9100000000-8515080f84cf3ef07fed
Source of Spectrum F-52-11794-5
Synonyms (1,5-cis,1,7-cis)-5-Methyl-2,4-dioxatricyclo[5.3.0.0(1,5)]decan-3-one (3aR,4aS,7aS)-3a-methylhexahydrocyclopenta[2,3]cyclobuta[1,2-d][1,3]dioxol-2-one
Wiley ID 798700