![3-[[(6aS)-11-keto-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propionic acid methyl ester](/api/spectrum/GjgcMpuTaEO/structure.png?h=300&w=458 "3-[[(6aS)-11-keto-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propionic acid methyl ester")
| SpectraBase Compound ID | 2upnlfcl87n |
|---|---|
| InChI | InChI=1S/C17H20N2O5/c1-22-14-8-12-13(9-15(14)24-7-5-16(20)23-2)18-10-11-4-3-6-19(11)17(12)21/h8-11H,3-7H2,1-2H3/t11-/m0/s1 |
| InChIKey | NARFTINXSTWTEK-NSHDSACASA-N |
| Mol Weight | 332.36 g/mol |
| Molecular Formula | C17H20N2O5 |
| Exact Mass | 332.137222 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GjgcMpuTaEO |
|---|---|
| Name | 3-[[(6aS)-11-keto-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propionic acid methyl ester |
| Alternate Name(s) | 3-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propanoic acid methyl ester Methyl 3-[[(6aS)-2-methoxy-11-oxidanylidene-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propanoate Methyl 3-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propanoate Methyl 3-{[(11aS)-7-methoxy-5-oxo-2,3,5,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy}propanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H20N2O5 |
| InChI | InChI=1S/C17H20N2O5/c1-22-14-8-12-13(9-15(14)24-7-5-16(20)23-2)18-10-11-4-3-6-19(11)17(12)21/h8-11H,3-7H2,1-2H3/t11-/m0/s1 |
| InChIKey | NARFTINXSTWTEK-NSHDSACASA-N |
| Molecular Weight | 332.356 g/mol |
| SMILES | C1(c2c(N=C[C@]3(N1CCC3)[H])cc(c(c2)OC)OCCC(=O)OC)=O |
| SPLASH | splash10-001i-2019000000-83bc2c00bb7f6b50d353 |
| Source of Spectrum | F2-42-1958-16 |
| Wiley ID | 1600175 |