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2-Benzyl-3-keto-butyric acid 1-methylbut-3-ynyl ester
SpectraBase Compound ID 3XcBDGDcvIQ
InChI InChI=1S/C16H18O3/c1-4-8-12(2)19-16(18)15(13(3)17)11-14-9-6-5-7-10-14/h1,5-7,9-10,12,15H,8,11H2,2-3H3
InChIKey UMEIVGPVRJAPDW-UHFFFAOYSA-N
Mol Weight 258.32 g/mol
Molecular Formula C16H18O3
Exact Mass 258.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5xR2k4KdfvW
Name 2-Benzyl-3-keto-butyric acid 1-methylbut-3-ynyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O3
InChI InChI=1S/C16H18O3/c1-4-8-12(2)19-16(18)15(13(3)17)11-14-9-6-5-7-10-14/h1,5-7,9-10,12,15H,8,11H2,2-3H3
InChIKey UMEIVGPVRJAPDW-UHFFFAOYSA-N
Molecular Weight 258.317 g/mol
SMILES C(C(C(C)=O)Cc1ccccc1)(=O)OC(CC#C)C
SPLASH splash10-00kg-9650000000-e4eb33ec027a5b4f3f95
Source of Spectrum J-64-1382-3
Synonyms 3-Oxo-2-(phenylmethyl)butanoic acid pent-4-yn-2-yl ester Pent-4-yn-2-yl 2-benzyl-3-oxobutanoate Pent-4-yn-2-yl 3-oxidanylidene-2-(phenylmethyl)butanoate
Wiley ID 1529437