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Benzoic acid 2-cyano-1-isopropoxycarbonylmethyl-ethyl ester
SpectraBase Compound ID 6zsiRyzcu0c
InChI InChI=1S/C15H17NO4/c1-11(2)19-14(17)10-13(8-9-16)20-15(18)12-6-4-3-5-7-12/h3-7,11,13H,8,10H2,1-2H3
InChIKey KDEYRVDDMPCECK-UHFFFAOYSA-N
Mol Weight 275.3 g/mol
Molecular Formula C15H17NO4
Exact Mass 275.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G8rBydKTxkp
Name Benzoic acid 2-cyano-1-isopropoxycarbonylmethyl-ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17NO4
InChI InChI=1S/C15H17NO4/c1-11(2)19-14(17)10-13(8-9-16)20-15(18)12-6-4-3-5-7-12/h3-7,11,13H,8,10H2,1-2H3
InChIKey KDEYRVDDMPCECK-UHFFFAOYSA-N
Molecular Weight 275.304 g/mol
SMILES C(OC(CC(=O)OC(C)C)CC#N)(=O)c1ccccc1
SPLASH splash10-0a4i-0910000000-1f26515ae894269630ce
Source of Spectrum G2-2-452-17
Synonyms Isopropyl (RS)-3-benzoyloxy-4-cyanobutanoate
Wiley ID 1661503