| SpectraBase Spectrum ID |
FVIUuDGH61A |
| Name |
1-Acetyl-2-(3-ketobutyl)pseudoindoxyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
245.105193344 u |
| Formula |
C14H15NO3 |
| InChI |
InChI=1S/C14H15NO3/c1-9(16)7-8-13-14(18)11-5-3-4-6-12(11)15(13)10(2)17/h3-6,13H,7-8H2,1-2H3 |
| InChIKey |
OLNRUTMSAAJVMK-UHFFFAOYSA-N |
| Molecular Weight |
245.278 g/mol |
| SMILES |
C1(N(C2=C(C1=O)C=CC=C2)C(=O)C)CCC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970167 |
