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2-tert-Butyl-5-methyl-6,7,8,8a-tetrahydro-4H-1,3-benzodioxin-4-one
SpectraBase Compound ID ECErvGRZCj8
InChI InChI=1S/C13H20O3/c1-8-6-5-7-9-10(8)11(14)16-12(15-9)13(2,3)4/h9,12H,5-7H2,1-4H3
InChIKey QQDIRYNUYVEDRR-UHFFFAOYSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2xRMEn6YKxB
Name 2-tert-Butyl-5-methyl-6,7,8,8a-tetrahydro-4H-1,3-benzodioxin-4-one
CAS Registry Number 113288-23-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-8-6-5-7-9-10(8)11(14)16-12(15-9)13(2,3)4/h9,12H,5-7H2,1-4H3
InChIKey QQDIRYNUYVEDRR-UHFFFAOYSA-N
Molecular Weight 224.300 g/mol
SMILES CC=1CCCC2C1C(OC(O2)C(C)(C)C)=O
SPLASH splash10-00y0-5900000000-30d82cf7ca1b89ae0fcb
Synonyms 2-tert-Butyl-5-methyl-6,7,8,8a-tetrahydro-1,3-benzodioxin-4-one 4H-1,3-Benzodioxin-4-one, 2-(1,1-dimethylethyl)-6,7,8,8a-tetrahydro-5-methyl-, (2s-trans)-
Wiley ID 1486068