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2,4-bis[(1'-Methyl-1H-pyyrol-2'-yl)methylene]-8-ethylcarboxy-8-azabicyclo[3.2.1]octan-3-one
SpectraBase Compound ID JdkXOwYhWZq
InChI InChI=1S/C22H25N3O3/c1-4-28-22(27)25-19-9-10-20(25)18(14-16-8-6-12-24(16)3)21(26)17(19)13-15-7-5-11-23(15)2/h5-8,11-14,19-20H,4,9-10H2,1-3H3/b17-13-,18-14+/t19-,20+/m1/s1
InChIKey RBFMAYDIVJRNLI-BNEDABFDSA-N
Mol Weight 379.46 g/mol
Molecular Formula C22H25N3O3
Exact Mass 379.189592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EmmWcVdMeYj
Name 2,4-bis[(1'-Methyl-1H-pyyrol-2'-yl)methylene]-8-ethylcarboxy-8-azabicyclo[3.2.1]octan-3-one
Alternate Name(s) (2E,4Z)-8-ethylcarboxy-2,4-bis[(1-methyl-2-pyrrolyl)methylidene]-8-azabicyclo[3.2.1]octan-3-one (2E,4Z)-8-ethylcarboxy-2,4-bis[(1-methylpyrrol-2-yl)methylidene]-8-azabicyclo[3.2.1]octan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25N3O3
InChI InChI=1S/C22H25N3O3/c1-4-28-22(27)25-19-9-10-20(25)18(14-16-8-6-12-24(16)3)21(26)17(19)13-15-7-5-11-23(15)2/h5-8,11-14,19-20H,4,9-10H2,1-3H3/b17-13-,18-14+/t19-,20+/m1/s1
InChIKey RBFMAYDIVJRNLI-BNEDABFDSA-N
Molecular Weight 379.460 g/mol
SMILES [C@@]12(\C(C(\C([C@@](N2C(=O)OCC)(CC1)[H])=C/c1[n](ccc1)C)=O)=C\c1[n](ccc1)C)[H]
SPLASH splash10-0ufr-0139000000-247d03cd06ff30ce53e3
Source of Spectrum SK-31-3261-2h
Wiley ID 882235