| SpectraBase Spectrum ID |
LnppDbGsUsJ |
| Name |
4-Amino-2-benzylidene-7-methylindan-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.115364106 u |
| Formula |
C17H15NO |
| InChI |
InChI=1S/C17H15NO/c1-11-7-8-15(18)14-10-13(17(19)16(11)14)9-12-5-3-2-4-6-12/h2-9H,10,18H2,1H3/b13-9+ |
| InChIKey |
XIUMUOOPOAAXHR-UKTHLTGXSA-N |
| Molecular Weight |
249.313 g/mol |
| SMILES |
C1(\C(CC=2C(=CC=C(C12)C)N)=C\C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937075 |
