| SpectraBase Spectrum ID |
ChydcT3Qz0t |
| Name |
2-(3-Methyl-4-oxidanylidene-pentyl)isoindole-1,3-dione |
| 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(10(2)16)7-8-15-13(17)11-5-3-4-6-12(11)14(15)18/h3-6,9H,7-8H2,1-2H3 |
| InChIKey |
SNDHRWACGVKPFQ-UHFFFAOYSA-N |
| Molecular Weight |
245.278 g/mol |
| SMILES |
C1(N(C(C=2C=CC=CC12)=O)CCC(C(=O)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936415 |
