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ANISOTINE
SpectraBase Compound ID FcFFhvxTqMQ
InChI InChI=1S/C20H19N3O3/c1-21-16-8-7-12(11-15(16)20(25)26-2)13-9-10-23-18(13)22-17-6-4-3-5-14(17)19(23)24/h3-8,11,13,21H,9-10H2,1-2H3
InChIKey FZKRWTVMKFSFSG-UHFFFAOYSA-N
Mol Weight 349.39 g/mol
Molecular Formula C20H19N3O3
Exact Mass 349.142641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KCEkgZjiF4t
Name 2-(methylamino)-5-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-3-yl)benzoic acid methyl ester
Alternate Name(s) 5-(9-keto-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-3-yl)-2-(methylamino)benzoic acid methyl ester Anisotine Methyl 2-(methylamino)-5-(9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-3-yl)benzoate Methyl 2-(methylamino)-5-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-3-yl)benzoate
CAS Registry Number 16688-19-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19N3O3
InChI InChI=1S/C20H19N3O3/c1-21-16-8-7-12(11-15(16)20(25)26-2)13-9-10-23-18(13)22-17-6-4-3-5-14(17)19(23)24/h3-8,11,13,21H,9-10H2,1-2H3
InChIKey FZKRWTVMKFSFSG-UHFFFAOYSA-N
Molecular Weight 349.390 g/mol
SMILES N(c1ccc(cc1C(=O)OC)C1C=2N(C(=O)c3c(N2)cccc3)CC1)C
SPLASH splash10-0002-3019000000-b7541d1f45ed01f608bd
Source of Spectrum T-67-3925-0
Wiley ID 1341414