| SpectraBase Spectrum ID |
2W97FE16jJJ |
| Name |
25I-Nb3B me P1647 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
488.980036918 u |
| Formula |
C18H21BrINO2 |
| InChI |
InChI=1S/C18H21BrINO2/c1-21(12-13-5-4-6-15(19)9-13)8-7-14-10-18(23-3)16(20)11-17(14)22-2/h4-6,9-11H,7-8,12H2,1-3H3 |
| InChIKey |
RNMUEUYHTPUPPN-UHFFFAOYSA-N |
| Molecular Weight |
490.179 g/mol |
| SMILES |
C=1C(=C(CCN(CC2=CC(=CC=C2)Br)C)C=C(OC)C1I)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.824283 |
