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6-((5'-Methyoxycarbonyl-2',3',4'-trimethyl-5'-methylene-2'-acetoxy-1'-oxopentoxy)methyl)-1-azabicyclo[3.3.0]octa-3,5,7-trien-2-one

View entire compound with spectra: 2 MS (GC)

6-((5'-Methyoxycarbonyl-2',3',4'-trimethyl-5'-methylene-2'-acetoxy-1'-oxopentoxy)methyl)-1-azabicyclo[3.3.0]octa-3,5,7-trien-2-one
SpectraBase Compound ID F0ciwfnWVi5
InChI InChI=1S/C21H25NO7/c1-12(13(2)19(25)27-6)14(3)21(5,29-15(4)23)20(26)28-11-16-9-10-22-17(16)7-8-18(22)24/h7-10,12,14H,2,11H2,1,3-6H3
InChIKey WDKGJBIURZTEJX-UHFFFAOYSA-N
Mol Weight 403.43 g/mol
Molecular Formula C21H25NO7
Exact Mass 403.163102 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JxRwYi1DI5p
Name 6-((5'-Methyoxycarbonyl-2',3',4'-trimethyl-5'-methylene-2'-acetoxy-1'-oxopentoxy)methyl)-1-azabicyclo[3.3.0]octa-3,5,7-trien-2-one
Alternate Name(s) Methyl 5-acetoxy-2-methylene-8-(3-oxocyclopenta(a)pyrrol-7-yl)-7-oxa-6-oxo-3,4,5-trimethyloctanoate 6-Methyl 1-[(3-oxo-3H-pyrrolo[1,2-a]pyrrol-7-yl)methyl]2-(acetyloxy)-2,3,4-trimethyl-5-methylenehexanedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO7
InChI InChI=1S/C21H25NO7/c1-12(13(2)19(25)27-6)14(3)21(5,29-15(4)23)20(26)28-11-16-9-10-22-17(16)7-8-18(22)24/h7-10,12,14H,2,11H2,1,3-6H3
InChIKey WDKGJBIURZTEJX-UHFFFAOYSA-N
Molecular Weight 403.431 g/mol
SMILES c12[n](ccc2COC(C(C(C(C(C(=O)OC)=C)C)C)(OC(=O)C)C)=O)C(C=C1)=O
SPLASH splash10-0f8c-5900000000-e8d0e4e50414af970891
Source of Spectrum K-110-485-4
Wiley ID 1370847