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2-tert-Butyl-5-vinylhexahydro-4H-1,3-benzodioxin-4-one
SpectraBase Compound ID 38XjhOWGZcn
InChI InChI=1S/C14H22O3/c1-5-9-7-6-8-10-11(9)12(15)17-13(16-10)14(2,3)4/h5,9-11,13H,1,6-8H2,2-4H3
InChIKey XDHNZUXMXJQDDZ-UHFFFAOYSA-N
Mol Weight 238.33 g/mol
Molecular Formula C14H22O3
Exact Mass 238.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4KUBoES19rX
Name 2-tert-Butyl-5-vinylhexahydro-4H-1,3-benzodioxin-4-one
CAS Registry Number 113121-95-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O3
InChI InChI=1S/C14H22O3/c1-5-9-7-6-8-10-11(9)12(15)17-13(16-10)14(2,3)4/h5,9-11,13H,1,6-8H2,2-4H3
InChIKey XDHNZUXMXJQDDZ-UHFFFAOYSA-N
Molecular Weight 238.327 g/mol
SMILES C12C(CCCC2C=C)OC(OC1=O)C(C)(C)C
SPLASH splash10-0a73-9500000000-b362b29b54e9f8496968
Synonyms 1,3-Benzodioxin-4-one, 2-(1,1-dimethylethyl)-5-ethenyl-perhydro 2-tert-Butyl-5-ethenyl-4a,5,6,7,8,8a-hexahydrobenzo[d][1,3]dioxin-4-one 2-tert-Butyl-5-vinyl-4a,5,6,7,8,8a-hexahydrobenzo[d][1,3]dioxin-4-one
Wiley ID 1477789