| SpectraBase Spectrum ID |
EOAaNxcNMME |
| Name |
4,6,8-Trimethyl-5-(4-nitrophenyl)-2,3-dihydro-1,4-benzoxazepinium Iodide |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H19IN2O3 |
| InChI |
InChI=1S/C18H19N2O3.HI/c1-12-10-13(2)17-16(11-12)23-9-8-19(3)18(17)14-4-6-15(7-5-14)20(21)22;/h4-7,10-11H,8-9H2,1-3H3;1H/q+1;/p-1 |
| InChIKey |
YPFDZABWXODKIK-UHFFFAOYSA-M |
| Molecular Weight |
438.265 g/mol |
| SMILES |
[I-].C1(=[N+](CCOc2c1c(cc(c2)C)C)C)c1ccc(N(=O)=O)cc1 |
| SPLASH |
splash10-00ou-0940000000-f7c68a9517912aab7fc2 |
| Source of Spectrum |
HC-49-336-16 |
| Synonyms |
4,6,8-trimethyl-5-(4-nitrophenyl)-2,3-dihydrobenzo[f][1,4]oxazepin-4-ium iodide |
| Wiley ID |
1739652 |
