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(9E,11E)-1-(1-pyrrolidinyl)-1-octadeca-9,11-dienone
SpectraBase Compound ID ATos4jA91Fc
InChI InChI=1S/C22H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(24)23-20-17-18-21-23/h7-10H,2-6,11-21H2,1H3/b8-7+,10-9+
InChIKey KIVSARXGBAQCCJ-XBLVEGMJSA-N
Mol Weight 333.6 g/mol
Molecular Formula C22H39NO
Exact Mass 333.303165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3RK9N8BfJw
Name (9E,11E)-1-(1-pyrrolidinyl)-1-octadeca-9,11-dienone
CAS Registry Number 56666-45-6
Comments Removed - expert review: solvent contamination (chloroform)); A corrected record has been addded having SpectrumID: 1718183
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H39NO
InChI InChI=1S/C22H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(24)23-20-17-18-21-23/h7-10H,2-6,11-21H2,1H3/b8-7+,10-9+
InChIKey KIVSARXGBAQCCJ-XBLVEGMJSA-N
Molecular Weight 333.560 g/mol
SMILES C(N1CCCC1)(=O)CCCCCCC\C=C\C=C\CCCCCC
SPLASH splash10-001s-9100000000-7bca668bc4dd9c97226d
Source of Spectrum EP-5514-0-0
Synonyms (9E,11E)-1-pyrrolidin-1-yloctadeca-9,11-dien-1-one (9E,11E)-1-pyrrolidinooctadeca-9,11-dien-1-one 1-[(9E,11E)-9,11-Octadecadienoyl]pyrrolidine Pyrrolidine, 1-(1-oxo-9,11-octadecadienyl)-, (Z,Z)-
Wiley ID 1330440