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3-Phenyl-2-[4-(7-tridecanoylcyclopenta[d][1,2]oxazin-4-yl)phenoxy]propionic acid ethyl ester
SpectraBase Compound ID IjRQRETBvWB
InChI InChI=1S/C37H45NO5/c1-3-5-6-7-8-9-10-11-12-16-19-34(39)31-24-25-32-33(31)27-42-38-36(32)29-20-22-30(23-21-29)43-35(37(40)41-4-2)26-28-17-14-13-15-18-28/h13-15,17-18,20-25,27,35H,3-12,16,19,26H2,1-2H3
InChIKey WMGVSTQXOHYCAR-UHFFFAOYSA-N
Mol Weight 583.8 g/mol
Molecular Formula C37H45NO5
Exact Mass 583.329774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AHDDizimeQh
Name 3-Phenyl-2-[4-(7-tridecanoylcyclopenta[d][1,2]oxazin-4-yl)phenoxy]propionic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H45NO5
InChI InChI=1S/C37H45NO5/c1-3-5-6-7-8-9-10-11-12-16-19-34(39)31-24-25-32-33(31)27-42-38-36(32)29-20-22-30(23-21-29)43-35(37(40)41-4-2)26-28-17-14-13-15-18-28/h13-15,17-18,20-25,27,35H,3-12,16,19,26H2,1-2H3
InChIKey WMGVSTQXOHYCAR-UHFFFAOYSA-N
Molecular Weight 583.769 g/mol
SMILES C(C(Cc1ccccc1)Oc1ccc(cc1)C1=NOC=C2C1=CC=C2C(CCCCCCCCCCCC)=O)(=O)OCC
SPLASH splash10-001i-0008900000-8f14e1d6e4b4be4019c7
Source of Spectrum QB-21-1479-2
Synonyms Ethyl 3-phenyl-2-[4-(7-tridecanoylcyclopenta[d][1,2]oxazin-4-yl)phenoxy]propanoate
Wiley ID 1584644