| SpectraBase Spectrum ID |
J5gSntjQJCM |
| Name |
3-(1-Methyl-2-methylamino-ethylidene)-chroman-2,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
217.073893215 u |
| Formula |
C12H11NO3 |
| InChI |
InChI=1S/C12H11NO3/c1-7(13-2)10-11(14)8-5-3-4-6-9(8)16-12(10)15/h3-6,13H,1-2H3/b10-7+ |
| InChIKey |
IBLBKLRKJKLSGP-JXMROGBWSA-N |
| Molecular Weight |
217.224 g/mol |
| SMILES |
C1(\C(C(C2=C(O1)C=CC=C2)=O)=C/(NC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961844 |
