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18-(1-Phenylethylcarbamoyl)-2,13-dioxabicyclo[12.2.2]octadeca-1(17),14(18),15-triene-15-carboxylic acid, methyl ester
SpectraBase Compound ID 3nPb9LJH49p
InChI InChI=1S/C27H35NO5/c1-20(21-14-10-9-11-15-21)28-26(29)23-18-22-19-24(27(30)31-2)25(23)33-17-13-8-6-4-3-5-7-12-16-32-22/h9-11,14-15,18-20H,3-8,12-13,16-17H2,1-2H3,(H,28,29)
InChIKey OFMYMGJZJCDNPG-UHFFFAOYSA-N
Mol Weight 453.6 g/mol
Molecular Formula C27H35NO5
Exact Mass 453.251523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Ilpcmb6Rsi
Name 18-(1-Phenylethylcarbamoyl)-2,13-dioxabicyclo[12.2.2]octadeca-1(17),14(18),15-triene-15-carboxylic acid, methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H35NO5
InChI InChI=1S/C27H35NO5/c1-20(21-14-10-9-11-15-21)28-26(29)23-18-22-19-24(27(30)31-2)25(23)33-17-13-8-6-4-3-5-7-12-16-32-22/h9-11,14-15,18-20H,3-8,12-13,16-17H2,1-2H3,(H,28,29)
InChIKey OFMYMGJZJCDNPG-UHFFFAOYSA-N
Molecular Weight 453.579 g/mol
SMILES N(C(c1c2c(cc(c1)OCCCCCCCCCCO2)C(=O)OC)=O)C(C)c1ccccc1
SPLASH splash10-0a4i-5911000000-268e5e316a22dadeda25
Synonyms 18-[oxo-(1-phenylethylamino)methyl]-2,13-dioxabicyclo[12.2.2]octadeca-1(17),14(18),15-triene-15-carboxylic acid methyl ester Methyl 18-(1-phenylethylcarbamoyl)-2,13-dioxabicyclo[12.2.2]octadeca-1(17),14(18),15-triene-15-carboxylate
Wiley ID 1480050