| SpectraBase Spectrum ID |
CSyfcjYmJWg |
| Name |
3-(1,3-Benzodioxol-5-yl)-1-methyl-3H-indol-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
267.089543280 u |
| Formula |
C16H13NO3 |
| InChI |
InChI=1S/C16H13NO3/c1-17-12-5-3-2-4-11(12)15(16(17)18)10-6-7-13-14(8-10)20-9-19-13/h2-8,15H,9H2,1H3 |
| InChIKey |
DIYQACYQGJPFPD-UHFFFAOYSA-N |
| Molecular Weight |
267.284 g/mol |
| SMILES |
C1(N(C=2C=CC=CC2C1C=1C=C2OCOC2=CC1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930742 |
