![4H,6H-[1,2,3]Triazolo[1,5-a][4,1]benzoxazepin-6-one-3-methyl 2-azidobenzoate](/api/spectrum/BBwkAhu2A7w/structure.png?h=300&w=458 "4H,6H-[1,2,3]Triazolo[1,5-a][4,1]benzoxazepin-6-one-3-methyl 2-azidobenzoate")
| SpectraBase Compound ID | 3t0na69Pmsa |
|---|---|
| InChI | InChI=1S/C18H12N6O4/c19-22-20-13-7-3-1-5-11(13)17(25)27-9-14-16-10-28-18(26)12-6-2-4-8-15(12)24(16)23-21-14/h1-8H,9-10H2 |
| InChIKey | ZIYYSDFAWJVXQJ-UHFFFAOYSA-N |
| Mol Weight | 376.33 g/mol |
| Molecular Formula | C18H12N6O4 |
| Exact Mass | 376.092003 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BBwkAhu2A7w |
|---|---|
| Name | 4H,6H-[1,2,3]Triazolo[1,5-a][4,1]benzoxazepin-6-one-3-methyl 2-azidobenzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H12N6O4 |
| InChI | InChI=1S/C18H12N6O4/c19-22-20-13-7-3-1-5-11(13)17(25)27-9-14-16-10-28-18(26)12-6-2-4-8-15(12)24(16)23-21-14/h1-8H,9-10H2 |
| InChIKey | ZIYYSDFAWJVXQJ-UHFFFAOYSA-N |
| Molecular Weight | 376.332 g/mol |
| SMILES | c12[n](nnc2COC(c2c(N=[N+]=[N-])cccc2)=O)-c2c(C(OC1)=O)cccc2 |
| SPLASH | splash10-002k-0529000000-8def606de7dfe51a37e6 |
| Source of Spectrum | Y-50-533-3c |
| Synonyms | 4H,6H-[1,2,3]Triazolo[1,5-a][4,1]benzoxazepin-6-one-3-methyl2-azidobenzoate (6-oxo-4,6-dihydrobenzo[e][1,2,3]triazolo[5,1-c][1,4]oxazepin-3-yl)methyl 2-azidobenzoate 2-Azidobenzoic acid (6-oxo-4H-triazolo[1,5-a][4,1]benzoxazepin-3-yl)methyl ester (6-oxo-4H-triazolo[1,5-a][4,1]benzoxazepin-3-yl)methyl 2-azidobenzoate (6-oxidanylidene-4H-[1,2,3]triazolo[1,5-a][4,1]benzoxazepin-3-yl)methyl 2-azidobenzoate |
| Wiley ID | 1736687 |