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Dimethyl 2-(azepan-1-yl)malonate
SpectraBase Compound ID GFLnDYJMDv7
InChI InChI=1S/C11H19NO4/c1-15-10(13)9(11(14)16-2)12-7-5-3-4-6-8-12/h9H,3-8H2,1-2H3
InChIKey GAWYOOFOEHHNEC-UHFFFAOYSA-N
Mol Weight 229.28 g/mol
Molecular Formula C11H19NO4
Exact Mass 229.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JiDZ2Lh3yrK
Name Dimethyl 2-(azepan-1-yl)malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H19NO4
InChI InChI=1S/C11H19NO4/c1-15-10(13)9(11(14)16-2)12-7-5-3-4-6-8-12/h9H,3-8H2,1-2H3
InChIKey GAWYOOFOEHHNEC-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol702017t
Molecular Weight 229.276 g/mol
SMILES C(C(=O)OC)(N1CCCCCC1)C(OC)=O
SPLASH splash10-0abc-8900000000-4e5ddb7887aecc0a6cdf
Source of Spectrum A1-9-4375/SM2-arb3
Wiley ID 1758707