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(3S,5R)-5-(1,3-benzodioxol-5-yl)-3,5-dimethyl-2-oxolanone
SpectraBase Compound ID 1FgTBfVKfeM
InChI InChI=1S/C13H14O4/c1-8-6-13(2,17-12(8)14)9-3-4-10-11(5-9)16-7-15-10/h3-5,8H,6-7H2,1-2H3/t8-,13+/m0/s1
InChIKey LQODQDZSEIXMPH-ISVAXAHUSA-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 LwsJbtPquIZ
Name (3S,5R)-5-(1,3-benzodioxol-5-yl)-3,5-dimethyl-2-oxolanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O4
InChI InChI=1S/C13H14O4/c1-8-6-13(2,17-12(8)14)9-3-4-10-11(5-9)16-7-15-10/h3-5,8H,6-7H2,1-2H3/t8-,13+/m0/s1
InChIKey LQODQDZSEIXMPH-ISVAXAHUSA-N
Molecular Weight 234.251 g/mol
SMILES [C@@]1(OC(=O)[C@](C1)(C)[H])(c1cc2OCOc2cc1)C
SPLASH splash10-00kb-0890000000-df72290f7c6beec6c37f
Source of Spectrum J-66-3960-30
Synonyms (3S,5R)-5-(1,3-benzodioxol-5-yl)-3,5-dimethyl-oxolan-2-one (3S,5R)-5-(1,3-benzodioxol-5-yl)-3,5-dimethyl-tetrahydrofuran-2-one
Wiley ID 1535315