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Dimethyl 2-(azepan-1-yl)-2-(prop-2-ynyl)malonate

View entire compound with spectra: 1 MS (GC)

Dimethyl 2-(azepan-1-yl)-2-(prop-2-ynyl)malonate
SpectraBase Compound ID FXgP2AZ7L0z
InChI InChI=1S/C14H21NO4/c1-4-9-14(12(16)18-2,13(17)19-3)15-10-7-5-6-8-11-15/h1H,5-11H2,2-3H3
InChIKey FQZZBDSGXBZHKL-UHFFFAOYSA-N
Mol Weight 267.32 g/mol
Molecular Formula C14H21NO4
Exact Mass 267.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AvbAYRwMbyq
Name Dimethyl 2-(azepan-1-yl)-2-(prop-2-ynyl)malonate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21NO4
InChI InChI=1S/C14H21NO4/c1-4-9-14(12(16)18-2,13(17)19-3)15-10-7-5-6-8-11-15/h1H,5-11H2,2-3H3
InChIKey FQZZBDSGXBZHKL-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol702017t
Molecular Weight 267.325 g/mol
SMILES C(C(=O)OC)(N1CCCCCC1)(C(OC)=O)CC#C
SPLASH splash10-0a4i-9360000000-cdc2cd551bfdabcc70b6
Source of Spectrum A1-9-4375/SM4-3
Synonyms Dimethyl 2-(azepan-1-yl)-2-(prop-2-yn-1-yl)malonate
Wiley ID 1758700