| SpectraBase Spectrum ID |
IKilyZ2detV |
| Name |
Methanone, (7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)(3-iodophenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.986188247 u |
| Formula |
C15H12INO3 |
| InChI |
InChI=1S/C15H12INO3/c16-10-3-1-2-9(6-10)15(18)11-7-13-14(8-12(11)17)20-5-4-19-13/h1-3,6-8H,4-5,17H2 |
| InChIKey |
GCPIEQGRZRNYSZ-UHFFFAOYSA-N |
| Molecular Weight |
381.169 g/mol |
| SMILES |
C1(=CC2=C(C=C1C(=O)C=1C=C(C=CC1)I)OCCO2)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889186 |
