| SpectraBase Spectrum ID |
GP5qrdJdia9 |
| Name |
5H-5-Acetyl-6,7-dihydro-1-formylindoline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
203.094628661 u |
| Formula |
C12H13NO2 |
| InChI |
InChI=1S/C12H13NO2/c1-8-6-13(9(2)15)11-5-3-4-10(7-14)12(8)11/h3-5,7-8H,6H2,1-2H3 |
| InChIKey |
JGZNKXLYVJCLRL-UHFFFAOYSA-N |
| Molecular Weight |
203.241 g/mol |
| SMILES |
C=12N(CC(C2=C(C=O)C=CC1)C)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947209 |
