| SpectraBase Spectrum ID |
8461a4rd9fA |
| Name |
(E)-2-(3-(3,4-Dihydro-2H-pyran-5-yl) allyl) isoindoline-1,3-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
269.105193344 u |
| Formula |
C16H15NO3 |
| InChI |
InChI=1S/C16H15NO3/c18-15-13-7-1-2-8-14(13)16(19)17(15)9-3-5-12-6-4-10-20-11-12/h1-3,5,7-8,11H,4,6,9-10H2/b5-3+ |
| InChIKey |
SBZUIVFEAZDGBU-HWKANZROSA-N |
| Molecular Weight |
269.300 g/mol |
| SMILES |
C1(N(C(C=2C=CC=CC12)=O)C\C=C\C=1CCCOC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937501 |
