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3-[4'-(2"-ketopyrrolizid-3'-enyl)]-1,4-trimethylenetetramic acid
SpectraBase Compound ID H5HAeoxfQDB
InChI InChI=1S/C14H16N2O3/c17-11-7-8(9-3-1-5-15(9)11)12-13(18)10-4-2-6-16(10)14(12)19/h7,9-10,18H,1-6H2
InChIKey XCMQHDKSQGFOHF-UHFFFAOYSA-N
Mol Weight 260.29 g/mol
Molecular Formula C14H16N2O3
Exact Mass 260.116092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IPznFvnlYF7
Name 3-[4'-(2"-ketopyrrolizid-3'-enyl)]-1,4-trimethylenetetramic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16N2O3
InChI InChI=1S/C14H16N2O3/c17-11-7-8(9-3-1-5-15(9)11)12-13(18)10-4-2-6-16(10)14(12)19/h7,9-10,18H,1-6H2
InChIKey XCMQHDKSQGFOHF-UHFFFAOYSA-N
Molecular Weight 260.293 g/mol
SMILES OC1=C(C(N2CCCC12)=O)C1=CC(=O)N2C1CCC2
SPLASH splash10-03di-6090000000-cb3f7c880ed684ad2ff5
Source of Spectrum F8-26-139-9
Wiley ID 1581565