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Isoxazole, 5-[2-(3,4-dimethoxyphenyl)ethenyl]-, (E)-
SpectraBase Compound ID Dl7wMYTs5J
InChI InChI=1S/C13H13NO3/c1-15-12-6-4-10(9-13(12)16-2)3-5-11-7-8-14-17-11/h3-9H,1-2H3/b5-3+
InChIKey HUISFEWFCJUZBO-HWKANZROSA-N
Mol Weight 231.25 g/mol
Molecular Formula C13H13NO3
Exact Mass 231.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3eYNv1iaCfc
Name Isoxazole, 5-[2-(3,4-dimethoxyphenyl)ethenyl]-, (E)-
Alternate Name(s) (E)-5-[2-(3,4-dimethoxyphenyl)ethenyl]isoxazole 5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]isoxazole
CAS Registry Number 113352-00-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO3
InChI InChI=1S/C13H13NO3/c1-15-12-6-4-10(9-13(12)16-2)3-5-11-7-8-14-17-11/h3-9H,1-2H3/b5-3+
InChIKey HUISFEWFCJUZBO-HWKANZROSA-N
Molecular Weight 231.251 g/mol
SMILES c1(oncc1)\C=C\c1cc(OC)c(cc1)OC
SPLASH splash10-001i-0090000000-db808f34d76bf0b3ee3d
Source of Spectrum J-53-1362-19
Wiley ID 1232768