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5-Sec-butyl-2-tert-butylhexahydro-4H-1,3-benzodioxin-4-one
SpectraBase Compound ID Cxawo8sM0gw
InChI InChI=1S/C16H28O3/c1-6-10(2)11-8-7-9-12-13(11)14(17)19-15(18-12)16(3,4)5/h10-13,15H,6-9H2,1-5H3
InChIKey RWMYBPPGXFYSLA-UHFFFAOYSA-N
Mol Weight 268.4 g/mol
Molecular Formula C16H28O3
Exact Mass 268.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 81oYJsO1BX7
Name 5-Sec-butyl-2-tert-butylhexahydro-4H-1,3-benzodioxin-4-one
CAS Registry Number 113121-93-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28O3
InChI InChI=1S/C16H28O3/c1-6-10(2)11-8-7-9-12-13(11)14(17)19-15(18-12)16(3,4)5/h10-13,15H,6-9H2,1-5H3
InChIKey RWMYBPPGXFYSLA-UHFFFAOYSA-N
Molecular Weight 268.397 g/mol
SMILES C(C(C1C2C(CCC1)OC(OC2=O)C(C)(C)C)C)C
SPLASH splash10-05o0-6900000000-d6d89f1d34290871b687
Synonyms 2-tert-Butyl-5-sec-butyl-4a,5,6,7,8,8a-hexahydrobenzo[d][1,3]dioxin-4-one 4H-1,3-Benzodioxin-4-one, hexahydro-2-(1,1-dimethylethyl)-5-(1-methylpropyl)- 5-Butan-2-yl-2-tert-butyl-4a,5,6,7,8,8a-hexahydrobenzo[d][1,3]dioxin-4-one
Wiley ID 1486581