| SpectraBase Spectrum ID |
KbXYkrciWkD |
| Name |
2-(5-Bromanyl-2,2-dimethyl-3-oxidanylidene-indol-1-yl)-3-methyl-but-2-enenitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.036776110 u |
| Formula |
C15H15BrN2O |
| InChI |
InChI=1S/C15H15BrN2O/c1-9(2)13(8-17)18-12-6-5-10(16)7-11(12)14(19)15(18,3)4/h5-7H,1-4H3 |
| InChIKey |
CWTJHNWXFWUNIN-UHFFFAOYSA-N |
| Molecular Weight |
319.202 g/mol |
| SMILES |
C(C(=C(C)C)N1C(C(C=2C=C(C=CC12)Br)=O)(C)C)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885982 |
