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Dimethyl 2-(4-cyanobutyl)succinate
SpectraBase Compound ID 9dAfcHdSttl
InChI InChI=1S/C11H17NO4/c1-15-10(13)8-9(11(14)16-2)6-4-3-5-7-12/h9H,3-6,8H2,1-2H3
InChIKey SJAQQAARSVOHNK-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 CeK1kU4YWsP
Name Dimethyl 2-(4-cyanobutyl)succinate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17NO4
InChI InChI=1S/C11H17NO4/c1-15-10(13)8-9(11(14)16-2)6-4-3-5-7-12/h9H,3-6,8H2,1-2H3
InChIKey SJAQQAARSVOHNK-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.orglett.5b00282
Molecular Weight 227.260 g/mol
SMILES C(CCC#N)CC(C(=O)OC)CC(OC)=O
SPLASH splash10-06y2-1900000000-aa71f81d6cab28e0feab
Source of Spectrum A1-17-1292/SMS7-5b
Wiley ID 1761015