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1-Propanone, 1-[5-(1,3-dioxolan-2-yl)-3-methyl-6-oxabicyclo[3.1.0]hex-1-yl]-, [1R-(1.alpha.,3.alpha.,5.alpha.)]-
SpectraBase Compound ID 3FMPJDZd7AA
InChI InChI=1S/C12H18O4/c1-3-9(13)11-6-8(2)7-12(11,16-11)10-14-4-5-15-10/h8,10H,3-7H2,1-2H3/t8-,11+,12-/m0/s1
InChIKey ZTKNUPFNWCSOOM-AXTRIDKLSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JjVFw9FUoAO
Name 1-Propanone, 1-[5-(1,3-dioxolan-2-yl)-3-methyl-6-oxabicyclo[3.1.0]hex-1-yl]-, [1R-(1.alpha.,3.alpha.,5.alpha.)]-
CAS Registry Number 128571-81-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-3-9(13)11-6-8(2)7-12(11,16-11)10-14-4-5-15-10/h8,10H,3-7H2,1-2H3/t8-,11+,12-/m0/s1
InChIKey ZTKNUPFNWCSOOM-AXTRIDKLSA-N
Molecular Weight 226.272 g/mol
SMILES [C@]12([C@](C(=O)CC)(C[C@@](C2)(C)[H])O1)C1OCCO1
SPLASH splash10-00dj-9200000000-99f949a398ceebb7d870
Source of Spectrum J-55-5617-16
Synonyms 6-Oxabicyclo[3.1.0]hexane, 1-propanone deriv. (1R)-(1.alpha.,3.alpha.,5.alpha.)-1-[5-(1,3-dioxolan-2-yl)-3-methyl-6-oxa-bicyclo[3.1.0]hex-1-yl]-1-propanone 1-[(1S,3R,5R)-5-(1,3-dioxolan-2-yl)-3-methyl-6-oxabicyclo[3.1.0]hex-1-yl]-1-propanone
Wiley ID 1227328