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(2S,3R)-2-(Dimethoxy-phosphoryl)-3-(4,8-dimethyl-2-oxo-2,3-dihydro-benzo[b][1,4]diazepin-1-yl)-succinic acid diethyl ester

View entire compound with spectra: 1 MS (GC)

(2S,3R)-2-(Dimethoxy-phosphoryl)-3-(4,8-dimethyl-2-oxo-2,3-dihydro-benzo[b][1,4]diazepin-1-yl)-succinic acid diethyl ester
SpectraBase Compound ID CXjPJgyXa5Y
InChI InChI=1S/C21H29N2O8P/c1-7-30-20(25)18(19(21(26)31-8-2)32(27,28-5)29-6)23-16-11-13(3)9-10-15(16)22-14(4)12-17(23)24/h9-11,18-19H,7-8,12H2,1-6H3/t18-,19-/m0/s1
InChIKey WGEINWLVCWAIPL-OALUTQOASA-N
Mol Weight 468.44 g/mol
Molecular Formula C21H29N2O8P
Exact Mass 468.166153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ji26ZfhJJm4
Name (2S,3R)-2-(Dimethoxy-phosphoryl)-3-(4,8-dimethyl-2-oxo-2,3-dihydro-benzo[b][1,4]diazepin-1-yl)-succinic acid diethyl ester
Alternate Name(s) Diethyl 3-(4,8-dimethyl-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-1-yl)-2-(dimethoxy-phosphoryl)succinate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29N2O8P
InChI InChI=1S/C21H29N2O8P/c1-7-30-20(25)18(19(21(26)31-8-2)32(27,28-5)29-6)23-16-11-13(3)9-10-15(16)22-14(4)12-17(23)24/h9-11,18-19H,7-8,12H2,1-6H3/t18-,19-/m0/s1
InChIKey WGEINWLVCWAIPL-OALUTQOASA-N
Molecular Weight 468.443 g/mol
SMILES [C@@](N1C(CC(C)=Nc2c1cc(cc2)C)=O)([C@](P(=O)(OC)OC)(C(=O)OCC)[H])(C(=O)OCC)[H]
SPLASH splash10-000t-2934200000-16a865e306e0d2631568
Source of Spectrum F-65-2686-7b
Wiley ID 1681342