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2-tert-Butyl-5,6,7,8-tetrahydro-4H-1,3-benzodioxin-4-one
SpectraBase Compound ID AMDhZSkNCYI
InChI InChI=1S/C12H18O3/c1-12(2,3)11-14-9-7-5-4-6-8(9)10(13)15-11/h11H,4-7H2,1-3H3
InChIKey CUUUOAYQRVRQOY-UHFFFAOYSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LnOwJI7oD9d
Name 2-tert-Butyl-5,6,7,8-tetrahydro-4H-1,3-benzodioxin-4-one
CAS Registry Number 113122-01-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-12(2,3)11-14-9-7-5-4-6-8(9)10(13)15-11/h11H,4-7H2,1-3H3
InChIKey CUUUOAYQRVRQOY-UHFFFAOYSA-N
Molecular Weight 210.273 g/mol
SMILES C1=2CCCCC2C(=O)OC(O1)C(C)(C)C
SPLASH splash10-00b9-2900000000-44c91058058196369d78
Source of Spectrum H-72-708-13
Synonyms 2-tert-Butyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one 5,6,7,8-Tetrahydrobenzo[b]1,3-dioxan-4-one, 2.beta.-t-butyl-
Wiley ID 1209231