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4-Benzyl-3,5-dimethylisoxazole

View entire compound with spectra: 3 MS (GC)

4-Benzyl-3,5-dimethylisoxazole
SpectraBase Compound ID KnUR44jkHXD
InChI InChI=1S/C12H13NO/c1-9-12(10(2)14-13-9)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKey JPBOUNOVBOOVFY-UHFFFAOYSA-N
Mol Weight 187.24 g/mol
Molecular Formula C12H13NO
Exact Mass 187.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Pa9nEdxzys
Name 4-Benzyl-3,5-dimethylisoxazole
CAS Registry Number 10557-84-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO
InChI InChI=1S/C12H13NO/c1-9-12(10(2)14-13-9)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKey JPBOUNOVBOOVFY-UHFFFAOYSA-N
Molecular Weight 187.242 g/mol
SMILES Cc1c(Cc2ccccc2)c(C)on1
SPLASH splash10-000f-6900000000-fbb09c094a7082d817be
Source of Spectrum W5-1989-7564-1
Synonyms 3,5-Dimethyl-4-(phenylmethyl)-1,2-oxazole 3,5-Dimethyl-4-(phenylmethyl)isoxazole 3,5-Dimethyl-4-benzylisoxazole 4-Benzyl-3,5-dimethyl-1,2-oxazole
Wiley ID 1183934