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Propanedioic acid, [[[2-(2,3-dihydro-3,5-dimethylpyrrolo[1,2,3-de]-1,4-benzoxazin-6-yl)ethyl]amino]methylene]-, diethyl ester, (.+-.)-

View entire compound with spectra: 1 MS (GC)

Propanedioic acid, [[[2-(2,3-dihydro-3,5-dimethylpyrrolo[1,2,3-de]-1,4-benzoxazin-6-yl)ethyl]amino]methylene]-, diethyl ester, (.+-.)-
SpectraBase Compound ID GohWJBI3Ujd
InChI InChI=1S/C22H28N2O5/c1-5-27-21(25)18(22(26)28-6-2)12-23-11-10-16-15(4)24-14(3)13-29-19-9-7-8-17(16)20(19)24/h7-9,12,14,23H,5-6,10-11,13H2,1-4H3
InChIKey BMQVRQYBGLWGSM-UHFFFAOYSA-N
Mol Weight 400.48 g/mol
Molecular Formula C22H28N2O5
Exact Mass 400.199822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6xfGOmfWyS7
Name Propanedioic acid, [[[2-(2,3-dihydro-3,5-dimethylpyrrolo[1,2,3-de]-1,4-benzoxazin-6-yl)ethyl]amino]methylene]-, diethyl ester, (.+-.)-
Alternate Name(s) Pyrrolo[1,2,3-de]-1,4-benzoxazine, propanedioic acid deriv. 6-[2-(2,2-diethoxycarbonylvinylamino)ethyl]-3,5-dimethyl-3,4-dihydropyrrolo[1,2,3-de]-2H-1,4-benzoxazine Diethyl 2-({[2-(3,5-dimethyl-2,3-dihydro[1,4]oxazino[2,3,4-hi]indol-6-yl)ethyl]amino}methylene)malonate
CAS Registry Number 113709-10-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28N2O5
InChI InChI=1S/C22H28N2O5/c1-5-27-21(25)18(22(26)28-6-2)12-23-11-10-16-15(4)24-14(3)13-29-19-9-7-8-17(16)20(19)24/h7-9,12,14,23H,5-6,10-11,13H2,1-4H3
InChIKey BMQVRQYBGLWGSM-UHFFFAOYSA-N
Molecular Weight 400.475 g/mol
SMILES N(C=C(C(=O)OCC)C(=O)OCC)CCc1c([n]2c3c1cccc3OCC2C)C
SPLASH splash10-0udi-0090100000-313b488368dc78a3d27c
Source of Spectrum KC-1987-2086-26
Wiley ID 1369428