| SpectraBase Spectrum ID |
Ljj4A85jnS3 |
| Name |
2H-Indol-2-one, 6-(1,1-dimethylethyl)-1,3-dihydro-5-methoxy-3,3-dimethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
247.157228918 u |
| Formula |
C15H21NO2 |
| InChI |
InChI=1S/C15H21NO2/c1-14(2,3)10-7-11-9(8-12(10)18-6)15(4,5)13(17)16-11/h7-8H,1-6H3,(H,16,17) |
| InChIKey |
CRZRLJXCDJWMLK-UHFFFAOYSA-N |
| Molecular Weight |
247.338 g/mol |
| SMILES |
C1(NC=2C=C(C(C)(C)C)C(=CC2C1(C)C)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916777 |
