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2,2,5-trimethyl-4H-benzo[d][1,3]dioxin-4-one
SpectraBase Compound ID 82a1sljLFOV
InChI InChI=1S/C11H12O3/c1-7-5-4-6-8-9(7)10(12)14-11(2,3)13-8/h4-6H,1-3H3
InChIKey PUMKDDYXTXGPAI-UHFFFAOYSA-N
Mol Weight 192.21 g/mol
Molecular Formula C11H12O3
Exact Mass 192.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5FqTsMNFsR8
Name 2,2,5-trimethyl-4H-benzo[d][1,3]dioxin-4-one
Appearance Colourless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O3
InChI InChI=1S/C11H12O3/c1-7-5-4-6-8-9(7)10(12)14-11(2,3)13-8/h4-6H,1-3H3
InChIKey PUMKDDYXTXGPAI-UHFFFAOYSA-N
Instrument Name Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1021/np300468h
Molecular Weight 192.214 g/mol
SMILES Cc1cccc2OC(OC(c12)=O)(C)C
SPLASH splash10-053r-3900000000-add7d88d9efac4242a9d
Source of Spectrum G4-75-SM42-267
Wiley ID 1854738