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2-Ethynyl-4-(methoxycarbonyl)benzyl acetate
SpectraBase Compound ID BSbX6p5aFSF
InChI InChI=1S/C13H12O4/c1-4-10-7-11(13(15)16-3)5-6-12(10)8-17-9(2)14/h1,5-7H,8H2,2-3H3
InChIKey IUMAXYQATPSHND-UHFFFAOYSA-N
Mol Weight 232.23 g/mol
Molecular Formula C13H12O4
Exact Mass 232.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4yBH2N2GOG
Name 2-Ethynyl-4-(methoxycarbonyl)benzyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12O4
InChI InChI=1S/C13H12O4/c1-4-10-7-11(13(15)16-3)5-6-12(10)8-17-9(2)14/h1,5-7H,8H2,2-3H3
InChIKey IUMAXYQATPSHND-UHFFFAOYSA-N
Molecular Weight 232.235 g/mol
SMILES C(c1cc(C(=O)OC)ccc1COC(=O)C)#C
SPLASH splash10-000x-4920000000-a3f3b6ae528ebf3df2cb
Source of Spectrum G-64-669-31
Synonyms Methyl 4-[(acetyloxy)methyl]-3-ethynylbenzoate
Wiley ID 749468