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Ethyl 3-(3'-oxo-1',3'-dihydro-2,1-benzisoxazol-1'-yl)propenoate
SpectraBase Compound ID 2D0vsOuZG2M
InChI InChI=1S/C12H11NO4/c1-2-16-11(14)7-8-13-10-6-4-3-5-9(10)12(15)17-13/h3-8H,2H2,1H3/b8-7+
InChIKey UIVAUIHXLXMFHB-BQYQJAHWSA-N
Mol Weight 233.22 g/mol
Molecular Formula C12H11NO4
Exact Mass 233.068808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8oTQsvvLc9z
Name Ethyl 3-(3'-oxo-1',3'-dihydro-2,1-benzisoxazol-1'-yl)propenoate
Alternate Name(s) Ethyl (2E)-3-(3-oxo-2,1-benzisoxazol-1(3H)-yl)-2-propenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NO4
InChI InChI=1S/C12H11NO4/c1-2-16-11(14)7-8-13-10-6-4-3-5-9(10)12(15)17-13/h3-8H,2H2,1H3/b8-7+
InChIKey UIVAUIHXLXMFHB-BQYQJAHWSA-N
Molecular Weight 233.223 g/mol
SMILES C1(ON(c2c1cccc2)\C=C\C(=O)OCC)=O
SPLASH splash10-01su-4940000000-7df5d2a778a461691d64
Source of Spectrum B-53-669-17
Wiley ID 746933