| SpectraBase Spectrum ID |
9uUuIVMXhzp |
| Name |
4-Iodo-2-(2-naphthyl)-1,3-indandione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
397.980374592 u |
| Formula |
C19H11IO2 |
| InChI |
InChI=1S/C19H11IO2/c20-15-7-3-6-14-17(15)19(22)16(18(14)21)13-9-8-11-4-1-2-5-12(11)10-13/h1-10,16H |
| InChIKey |
ZKNFCIPFTRTCIH-UHFFFAOYSA-N |
| Molecular Weight |
398.199 g/mol |
| SMILES |
C=12C(=CC=CC1C(C(C2=O)C=1C=CC=2C=CC=CC2C1)=O)I |
| Spectrum/Structure Validation Score (Raman) |
0.942251 |
