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4-(3-Acetoxybenzylidene)-2-methyloxazol-5(4H)-one
SpectraBase Compound ID K3DOkQ0XA1e
InChI InChI=1S/C13H11NO4/c1-8-14-12(13(16)17-8)7-10-4-3-5-11(6-10)18-9(2)15/h3-7H,1-2H3/b12-7+
InChIKey GCJMLLDOGOSRFL-KPKJPENVSA-N
Mol Weight 245.23 g/mol
Molecular Formula C13H11NO4
Exact Mass 245.068808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F4FORSmvjLo
Name 4-(3-Acetoxybenzylidene)-2-methyloxazol-5(4H)-one
Alternate Name(s) 3-[(E)-(2-methyl-5-oxo-1,3-oxazol-4(5H)-ylidene)methyl]phenyl acetate acetic acid[3-[(E)-(2-methyl-5-oxo-4-oxazolylidene)methyl]phenyl]ester acetic acid[3-[(E)-(5-keto-2-methyl-2-oxazolin-4-ylidene)methyl]phenyl]ester [3-[(E)-(2-methyl-5-oxidanylidene-1,3-oxazol-4-ylidene)methyl]phenyl]ethanoate [3-[(E)-(2-methyl-5-oxo-1,3-oxazol-4-ylidene)methyl]phenyl]acetate [3-[(E)-(2-methyl-5-oxo-oxazol-4-ylidene)methyl]phenyl]acetate acetic acid [3-[(E)-(2-methyl-5-oxo-4-oxazolylidene)methyl]phenyl] ester [3-[(E)-(2-methyl-5-oxo-1,3-oxazol-4-ylidene)methyl]phenyl] acetate [3-[(E)-(2-methyl-5-oxo-oxazol-4-ylidene)methyl]phenyl] acetate [3-[(E)-(2-methyl-5-oxidanylidene-1,3-oxazol-4-ylidene)methyl]phenyl] ethanoate
Comments Less than 3 mono-isotopic peaks
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Formula C13H11NO4
InChI InChI=1S/C13H11NO4/c1-8-14-12(13(16)17-8)7-10-4-3-5-11(6-10)18-9(2)15/h3-7H,1-2H3/b12-7+
InChIKey GCJMLLDOGOSRFL-KPKJPENVSA-N
Molecular Weight 245.234 g/mol
SMILES C1(=N\C(C(O1)=O)=C/c1cc(OC(=O)C)ccc1)C
SPLASH splash10-001i-0910000000-f8660d6ad0b4de720db9
Source of Spectrum SO-0-794-2
Wiley ID 1543465