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2-(9-octadecenoyl)-5-phenyloxazole
SpectraBase Compound ID 59BoqARLduK
InChI InChI=1S/C27H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(29)27-28-23-26(30-27)24-20-17-16-18-21-24/h9-10,16-18,20-21,23H,2-8,11-15,19,22H2,1H3/b10-9+
InChIKey JBJNKCWDUQMEEA-MDZDMXLPSA-N
Mol Weight 409.6 g/mol
Molecular Formula C27H39NO2
Exact Mass 409.298079 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2aWF2PkqWxy
Name 2-(9-octadecenoyl)-5-phenyloxazole
Alternate Name(s) (9E)-1-(5-phenyl-1,3-oxazol-2-yl)-9-octadecen-1-one
CAS Registry Number 108665-63-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H39NO2
InChI InChI=1S/C27H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(29)27-28-23-26(30-27)24-20-17-16-18-21-24/h9-10,16-18,20-21,23H,2-8,11-15,19,22H2,1H3/b10-9+
InChIKey JBJNKCWDUQMEEA-MDZDMXLPSA-N
Molecular Weight 409.614 g/mol
SMILES c1(ncc(o1)-c1ccccc1)C(=O)CCCCCCC\C=C\CCCCCCCC
SPLASH splash10-0a5j-0902200000-3e33f3594355540507c9
Source of Spectrum J-52-3419-17
Wiley ID 1373402