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3,6,6-TRIMETHYL-6,7-DIHYDRO-2,1-BENZISOXAZOL-4(5H)-ONE

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3,6,6-TRIMETHYL-6,7-DIHYDRO-2,1-BENZISOXAZOL-4(5H)-ONE
SpectraBase Compound ID 5BTiObae1M9
InChI InChI=1S/C10H13NO2/c1-6-9-7(11-13-6)4-10(2,3)5-8(9)12/h4-5H2,1-3H3
InChIKey WIEVVHHBMZEBFR-UHFFFAOYSA-N
Mol Weight 179.22 g/mol
Molecular Formula C10H13NO2
Exact Mass 179.094629 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JCEHmW3CbZH
Name 3,6,6-TRIMETHYL-6,7-DIHYDRO-2,1-BENZISOXAZOL-4(5H)-ONE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H13NO2
InChI InChI=1S/C10H13NO2/c1-6-9-7(11-13-6)4-10(2,3)5-8(9)12/h4-5H2,1-3H3
InChIKey WIEVVHHBMZEBFR-UHFFFAOYSA-N
Literature Reference Author J.ANDERSON-MCKAY,G.P.SAVAGE,G.W.SIMPSON
Literature Reference Citation AUSTR.J.CHEM.,49,163(1996)
Molecular Weight 179.219 g/mol
Solvent CDCl3
Source File Reference UWRK2861