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Dimethyl 2-(1-cyanobutan-2-yl)succinate
SpectraBase Compound ID 5vDCH27eJ3G
InChI InChI=1S/C11H17NO4/c1-4-8(5-6-12)9(11(14)16-3)7-10(13)15-2/h8-9H,4-5,7H2,1-3H3
InChIKey HXWVHFPMVDOICN-UHFFFAOYSA-N
Mol Weight 227.26 g/mol
Molecular Formula C11H17NO4
Exact Mass 227.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9oD9vp7b836
Name Dimethyl 2-(1-cyanobutan-2-yl)succinate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17NO4
InChI InChI=1S/C11H17NO4/c1-4-8(5-6-12)9(11(14)16-3)7-10(13)15-2/h8-9H,4-5,7H2,1-3H3
InChIKey HXWVHFPMVDOICN-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.orglett.5b00282
Molecular Weight 227.260 g/mol
SMILES C(C(C(C(=O)OC)CC(OC)=O)CC)C#N
SPLASH splash10-0002-9100000000-d39e7db968291486845c
Source of Spectrum A1-17-1292/SMS6-3b
Wiley ID 1761001