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1-[2-(Methylamino)ethyl]-5,6-diacetoxyphenanthrene
SpectraBase Compound ID 8YnAeW71MYw
InChI InChI=1S/C21H21NO4/c1-13(23)25-19-10-8-16-7-9-17-15(11-12-22-3)5-4-6-18(17)20(16)21(19)26-14(2)24/h4-10,22H,11-12H2,1-3H3
InChIKey KMSYNBYWRQKVGF-UHFFFAOYSA-N
Mol Weight 351.4 g/mol
Molecular Formula C21H21NO4
Exact Mass 351.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gm2NwQ9fx9p
Name 1-[2-(Methylamino)ethyl]-5,6-diacetoxyphenanthrene
Alternate Name(s) 3-(acetyloxy)-8-[2-(methylamino)ethyl]-4-phenanthryl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO4
InChI InChI=1S/C21H21NO4/c1-13(23)25-19-10-8-16-7-9-17-15(11-12-22-3)5-4-6-18(17)20(16)21(19)26-14(2)24/h4-10,22H,11-12H2,1-3H3
InChIKey KMSYNBYWRQKVGF-UHFFFAOYSA-N
Molecular Weight 351.402 g/mol
SMILES N(CCc1cccc2c3c(c(ccc3ccc12)OC(=O)C)OC(=O)C)C
SPLASH splash10-0w29-0059000000-0ea5697be49d264ec49f
Source of Spectrum CV-1975-249-4
Wiley ID 1576179