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Endo-4-Acetyl-5-anisyl-1,2,3,3a,4,5-hexahydropyrrolo-[1,2-a]quinolin-1-one
SpectraBase Compound ID EPEdpxx4ecN
InChI InChI=1S/C21H21NO3/c1-13(23)20-18-11-12-19(24)22(18)17-6-4-3-5-16(17)21(20)14-7-9-15(25-2)10-8-14/h3-10,18,20-21H,11-12H2,1-2H3/t18-,20-,21-/m1/s1
InChIKey KHTQOOGKVLLBDZ-HMXCVIKNSA-N
Mol Weight 335.4 g/mol
Molecular Formula C21H21NO3
Exact Mass 335.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID vIxufwb849
Name Endo-4-Acetyl-5-anisyl-1,2,3,3a,4,5-hexahydropyrrolo-[1,2-a]quinolin-1-one
Alternate Name(s) (3aR,4S,5R)-4-acetyl-5-(4-methoxyphenyl)-3,3a,4,5-tetrahydropyrrolo[1,2-a]quinolin-1(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO3
InChI InChI=1S/C21H21NO3/c1-13(23)20-18-11-12-19(24)22(18)17-6-4-3-5-16(17)21(20)14-7-9-15(25-2)10-8-14/h3-10,18,20-21H,11-12H2,1-2H3/t18-,20-,21-/m1/s1
InChIKey KHTQOOGKVLLBDZ-HMXCVIKNSA-N
Literature Reference DOI 10.1002/cjoc.201090095
Molecular Weight 335.403 g/mol
SMILES C1(N2[C@]([C@]([C@@](c3c2cccc3)(c2ccc(cc2)OC)[H])(C(=O)C)[H])([H])CC1)=O
SPLASH splash10-0006-9361000000-54ee2b176cb240ee4f5b
Source of Spectrum CJC-28-455-7a
Wiley ID 1772424