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4H-Pyrrolo[3,2,1-ij]quinolin-4-one, 8-[(2,3-dihydro-4H-1,4-benzoxazin-4-yl)sulfonyl]-1,2-dihydro-6-methyl-
SpectraBase Compound ID LeHucA7Z92v
InChI InChI=1S/C20H18N2O4S/c1-13-10-19(23)21-7-6-14-11-15(12-16(13)20(14)21)27(24,25)22-8-9-26-18-5-3-2-4-17(18)22/h2-5,10-12H,6-9H2,1H3
InChIKey SMEFUDZHBXLAJB-UHFFFAOYSA-N
Mol Weight 382.43 g/mol
Molecular Formula C20H18N2O4S
Exact Mass 382.098728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FqElUBaZjGx
Name 4H-Pyrrolo[3,2,1-ij]quinolin-4-one, 8-[(2,3-dihydro-4H-1,4-benzoxazin-4-yl)sulfonyl]-1,2-dihydro-6-methyl-
Alternate Name(s) 6-(3,4-dihydro-2H-1,4-benzoxazine-4-sulfonyl)-9-methyl-1-azatricyclo[6.3.1.0(4,12)]dodeca-4,6,8(12),9-tetraen-11-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18N2O4S
InChI InChI=1S/C20H18N2O4S/c1-13-10-19(23)21-7-6-14-11-15(12-16(13)20(14)21)27(24,25)22-8-9-26-18-5-3-2-4-17(18)22/h2-5,10-12H,6-9H2,1H3
InChIKey SMEFUDZHBXLAJB-UHFFFAOYSA-N
Molecular Weight 382.434 g/mol
SMILES c1cccc2N(CCOc12)S(=O)(c1cc2CCN3C(C=C(C)c(c23)c1)=O)=O
SPLASH splash10-001i-2900000000-2c6b3a416479fa7a4a4e
Source of Spectrum IY-2-5057-3
Wiley ID 1658556