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8-(2,5-diketo-3-phenyl-3-pyrrolin-1-yl)caprylic acid

View entire compound with spectra: 1 MS (GC)

8-(2,5-diketo-3-phenyl-3-pyrrolin-1-yl)caprylic acid
SpectraBase Compound ID K4fDFdAsb6G
InChI InChI=1S/C18H21NO4/c20-16-13-15(14-9-5-4-6-10-14)18(23)19(16)12-8-3-1-2-7-11-17(21)22/h4-6,9-10,13H,1-3,7-8,11-12H2,(H,21,22)
InChIKey RZPIKUOUHFPFCP-UHFFFAOYSA-N
Mol Weight 315.37 g/mol
Molecular Formula C18H21NO4
Exact Mass 315.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IBkgEPvh2ll
Name 8-(2,5-diketo-3-phenyl-3-pyrrolin-1-yl)caprylic acid
Alternate Name(s) 8-(2,5-dioxo-3-phenyl-1-pyrrolyl)octanoic acid 8-(2,5-dioxo-3-phenyl-pyrrol-1-yl)octanoic acid 8-[2,5-bis(oxidanylidene)-3-phenyl-pyrrol-1-yl]octanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21NO4
InChI InChI=1S/C18H21NO4/c20-16-13-15(14-9-5-4-6-10-14)18(23)19(16)12-8-3-1-2-7-11-17(21)22/h4-6,9-10,13H,1-3,7-8,11-12H2,(H,21,22)
InChIKey RZPIKUOUHFPFCP-UHFFFAOYSA-N
Molecular Weight 315.369 g/mol
SMILES OC(CCCCCCCN1C(C(c2ccccc2)=CC1=O)=O)=O
SPLASH splash10-0k9l-5910000000-46878002936fcd38319c
Source of Spectrum E1-39-1700-58
Wiley ID 1598708