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2-(1,3-benzodioxol-5-yl)-2-methyl-3-oxanone
SpectraBase Compound ID 3Quxw32VUMR
InChI InChI=1S/C13H14O4/c1-13(12(14)3-2-6-17-13)9-4-5-10-11(7-9)16-8-15-10/h4-5,7H,2-3,6,8H2,1H3
InChIKey SILZVYCRCRLUJY-UHFFFAOYSA-N
Mol Weight 234.25 g/mol
Molecular Formula C13H14O4
Exact Mass 234.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B31mGgAuyxc
Name 2-(1,3-benzodioxol-5-yl)-2-methyl-3-oxanone
CAS Registry Number 117056-72-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O4
InChI InChI=1S/C13H14O4/c1-13(12(14)3-2-6-17-13)9-4-5-10-11(7-9)16-8-15-10/h4-5,7H,2-3,6,8H2,1H3
InChIKey SILZVYCRCRLUJY-UHFFFAOYSA-N
Molecular Weight 234.251 g/mol
SMILES C1(c2cc3OCOc3cc2)(C(=O)CCCO1)C
SPLASH splash10-0007-4900000000-e95cdd31e20411644989
Source of Spectrum Y-25-999-3
Synonyms 2-(1,3-benzodioxol-5-yl)-2-methyl-oxan-3-one 2-(1,3-benzodioxol-5-yl)-2-methyl-tetrahydropyran-3-one
Wiley ID 1235926