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3-Methyl-7-iso-propylbenzofuran-2-one
SpectraBase Compound ID KvlDw8xgbIw
InChI InChI=1S/C12H14O2/c1-7(2)9-5-4-6-10-8(3)12(13)14-11(9)10/h4-8H,1-3H3
InChIKey HZHRAZVRDMQYSS-UHFFFAOYSA-N
Mol Weight 190.24 g/mol
Molecular Formula C12H14O2
Exact Mass 190.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JEYFjMMDkga
Name 3-Methyl-7-iso-propylbenzofuran-2-one
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 190.099379689 u
Formula C12H14O2
InChI InChI=1S/C12H14O2/c1-7(2)9-5-4-6-10-8(3)12(13)14-11(9)10/h4-8H,1-3H3
InChIKey HZHRAZVRDMQYSS-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 190.242 g/mol
Nominal Mass 190 u
Quality 964
Retention Index 1420
SMILES C12=C(C(C(O2)=O)C)C=CC=C1C(C)C
SPLASH splash10-0005-8900000000-58f7977129b7a234f715
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3-methyl-7-(propan-2-yl)-1-benzofuran-2(3H)-one
Technique GC/MS
Wiley ID DD2024_002292