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3-Butynoic acid, 2-acetyl-4-phenyl-, ethyl ester
SpectraBase Compound ID DqRFIiFOJaC
InChI InChI=1S/C14H14O3/c1-3-17-14(16)13(11(2)15)10-9-12-7-5-4-6-8-12/h4-8,13H,3H2,1-2H3
InChIKey VVOAYDVALQPDMV-UHFFFAOYSA-N
Mol Weight 230.26 g/mol
Molecular Formula C14H14O3
Exact Mass 230.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EWhPymNvKUN
Name 3-Butynoic acid, 2-acetyl-4-phenyl-, ethyl ester
Alternate Name(s) Ethyl 2-(phenylethynyl)acetoacetate Ethyl 2-acetyl-4-phenyl-3-butynoate
CAS Registry Number 128753-11-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14O3
InChI InChI=1S/C14H14O3/c1-3-17-14(16)13(11(2)15)10-9-12-7-5-4-6-8-12/h4-8,13H,3H2,1-2H3
InChIKey VVOAYDVALQPDMV-UHFFFAOYSA-N
Molecular Weight 230.263 g/mol
SMILES C(C(C(=O)OCC)C(=O)C)#Cc1ccccc1
SPLASH splash10-0kdi-4790000000-d547930c84c6b9ca20e2
Source of Spectrum J-55-5044-12
Wiley ID 1231997