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3-Methyl-5-butyl-benzo(d)isoxazole
SpectraBase Compound ID EMg69qSiJhB
InChI InChI=1S/C12H15NO/c1-3-4-5-10-6-7-12-11(8-10)9(2)13-14-12/h6-8H,3-5H2,1-2H3
InChIKey FIFPFNHWAFWEFT-UHFFFAOYSA-N
Mol Weight 189.26 g/mol
Molecular Formula C12H15NO
Exact Mass 189.115364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J3UsBQMXSkm
Name 3-Methyl-5-butyl-benzo(d)isoxazole
CAS Registry Number 131222-25-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO
InChI InChI=1S/C12H15NO/c1-3-4-5-10-6-7-12-11(8-10)9(2)13-14-12/h6-8H,3-5H2,1-2H3
InChIKey FIFPFNHWAFWEFT-UHFFFAOYSA-N
Molecular Weight 189.258 g/mol
SMILES c12onc(c1cc(cc2)CCCC)C
SPLASH splash10-0002-4900000000-71a56f82f2433ed391ed
Source of Spectrum O-21-35-3
Synonyms 5-Butyl-3-methyl-1,2-benzisoxazole 5-Butyl-3-methyl-1,2-benzoxazole 5-Butyl-3-methyl-indoxazene
Wiley ID 1185842