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(2E)-2-(2-acetyl-4,4-dimethyl-2-oxazolin-5-ylidene)acetic acid propyl ester
SpectraBase Compound ID KQTEeO1EXLK
InChI InChI=1S/C12H17NO4/c1-5-6-16-10(15)7-9-12(3,4)13-11(17-9)8(2)14/h7H,5-6H2,1-4H3/b9-7+
InChIKey SPAKALBISIAHJB-VQHVLOKHSA-N
Mol Weight 239.27 g/mol
Molecular Formula C12H17NO4
Exact Mass 239.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1jxxCa32no
Name (2E)-2-(2-acetyl-4,4-dimethyl-2-oxazolin-5-ylidene)acetic acid propyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO4
InChI InChI=1S/C12H17NO4/c1-5-6-16-10(15)7-9-12(3,4)13-11(17-9)8(2)14/h7H,5-6H2,1-4H3/b9-7+
InChIKey SPAKALBISIAHJB-VQHVLOKHSA-N
Molecular Weight 239.271 g/mol
SMILES C1(=NC(\C(O1)=C/C(=O)OCCC)(C)C)C(=O)C
SPLASH splash10-07w9-9500000000-8663182cadd1c9003468
Source of Spectrum F-70-4978-13
Synonyms (2E)-2-(2-acetyl-4,4-dimethyl-5-oxazolylidene)acetic acid propyl ester Propyl (2E)-2-(2-acetyl-4,4-dimethyl-1,3-oxazol-5-ylidene)acetate Propyl (2E)-2-(2-acetyl-4,4-dimethyl-oxazol-5-ylidene)acetate Propyl (2E)-2-(2-ethanoyl-4,4-dimethyl-1,3-oxazol-5-ylidene)ethanoate
Wiley ID 1597088