| SpectraBase Spectrum ID |
BruBcfKphlx |
| Name |
3-(1-Methoxy-2-oxopropylidene)-2-methyl-2,3-dihydro-1H-isoindole-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
231.089543280 u |
| Formula |
C13H13NO3 |
| InChI |
InChI=1S/C13H13NO3/c1-8(15)12(17-3)11-9-6-4-5-7-10(9)13(16)14(11)2/h4-7H,1-3H3/b12-11+ |
| InChIKey |
TUPGADIERQVEHP-VAWYXSNFSA-N |
| Molecular Weight |
231.251 g/mol |
| SMILES |
C1(N(\C(C2=C1C=CC=C2)=C\(C(=O)C)OC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932914 |
