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Butanedioic acid, 2-acetyl-, 4-ethyl 1-(phenylmethyl) ester
SpectraBase Compound ID 2OkQrl5wumx
InChI InChI=1S/C15H18O5/c1-3-19-14(17)9-13(11(2)16)15(18)20-10-12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3
InChIKey QSPLFLWSBLMQNY-UHFFFAOYSA-N
Mol Weight 278.3 g/mol
Molecular Formula C15H18O5
Exact Mass 278.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3HnkIueJZw
Name Butanedioic acid, 2-acetyl-, 4-ethyl 1-(phenylmethyl) ester
CAS Registry Number 82253-57-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O5
InChI InChI=1S/C15H18O5/c1-3-19-14(17)9-13(11(2)16)15(18)20-10-12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3
InChIKey QSPLFLWSBLMQNY-UHFFFAOYSA-N
Molecular Weight 278.304 g/mol
SMILES C(C(OCc1ccccc1)=O)(C(=O)C)CC(=O)OCC
SPLASH splash10-0btc-4960000000-83f52adacfe4d5731739
Source of Spectrum F-37-4538-0
Synonyms Ethyl 3-benzylcarboxy-levulinate
Wiley ID 1281867