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4H-1,3-Benzodioxin-4-one, 2-(1,1-dimethylethyl)-6,7,8,8a-tetrahydro-, (2S-trans)-
SpectraBase Compound ID 8OYVXUg1zZ8
InChI InChI=1S/C12H18O3/c1-12(2,3)11-14-9-7-5-4-6-8(9)10(13)15-11/h6,9,11H,4-5,7H2,1-3H3/t9-,11-/m0/s1
InChIKey RUKQXRNGQBFPQX-ONGXEEELSA-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 E6BL7vAl88f
Name 4H-1,3-Benzodioxin-4-one, 2-(1,1-dimethylethyl)-6,7,8,8a-tetrahydro-, (2S-trans)-
CAS Registry Number 113121-90-7
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/h6,9,11H,4-5,7H2,1-3H3/t9-,11-/m0/s1
InChIKey RUKQXRNGQBFPQX-ONGXEEELSA-N
Molecular Weight 210.273 g/mol
SMILES C=12C(O[C@](O[C@]2(CCCC1)[H])(C(C)(C)C)[H])=O
SPLASH splash10-0zi1-9700000000-33536ec54faa7ee4ada4
Source of Spectrum H-72-708-12
Synonyms (2S,8aS)-2-(t-butyl)-6,7,8,8a-tetrahydro-2H,4H-[1,3]benzodioxin-4-one (2S,8aS)-2-tert-butyl-6,7,8,8a-tetrahydro-4H-1,3-benzodioxin-4-one
Wiley ID 1209230