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3-[(E)-3-ketopent-1-enyl]-1,3-benzoxazol-2-one
SpectraBase Compound ID Ga47qGnb5Yd
InChI InChI=1S/C12H11NO3/c1-2-9(14)7-8-13-10-5-3-4-6-11(10)16-12(13)15/h3-8H,2H2,1H3/b8-7+
InChIKey UZDCEJYGKDQFMS-BQYQJAHWSA-N
Mol Weight 217.22 g/mol
Molecular Formula C12H11NO3
Exact Mass 217.073893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FcIKqBw3NI9
Name 3-[(E)-3-ketopent-1-enyl]-1,3-benzoxazol-2-one
Alternate Name(s) 3-[(E)-3-oxidanylidenepent-1-enyl]-1,3-benzoxazol-2-one 3-[(E)-3-oxopent-1-enyl]-1,3-benzoxazol-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NO3
InChI InChI=1S/C12H11NO3/c1-2-9(14)7-8-13-10-5-3-4-6-11(10)16-12(13)15/h3-8H,2H2,1H3/b8-7+
InChIKey UZDCEJYGKDQFMS-BQYQJAHWSA-N
Molecular Weight 217.224 g/mol
SMILES C1(N(c2c(O1)cccc2)\C=C\C(=O)CC)=O
SPLASH splash10-000i-0910000000-a09ec908badac685cb39
Source of Spectrum X4-19-481-0
Wiley ID 1585644