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(E/Z)-1,4-bis(azepan-1-yl)but-2-ene-1,4-dione
SpectraBase Compound ID HmwZHalMWaf
InChI InChI=1S/C16H26N2O2/c19-15(17-11-5-1-2-6-12-17)9-10-16(20)18-13-7-3-4-8-14-18/h9-10H,1-8,11-14H2
InChIKey BYTHLTQIMRAECI-UHFFFAOYSA-N
Mol Weight 278.4 g/mol
Molecular Formula C16H26N2O2
Exact Mass 278.199428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2dWDlbSbGA
Name (E/Z)-1,4-bis(azepan-1-yl)but-2-ene-1,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26N2O2
InChI InChI=1S/C16H26N2O2/c19-15(17-11-5-1-2-6-12-17)9-10-16(20)18-13-7-3-4-8-14-18/h9-10H,1-8,11-14H2
InChIKey BYTHLTQIMRAECI-UHFFFAOYSA-N
Instrument Name Fisons VG ProSpec
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.9.157
Molecular Weight 278.396 g/mol
Reported Formula C16H26N2O2
SMILES C1N(CCCCC1)C(C=CC(N1CCCCCC1)=O)=O
SPLASH splash10-0002-9500000000-ef556e48277eb1b72395
Source of Spectrum BJO-9-SM14-SM14-2
Wiley ID 1853706