| SpectraBase Spectrum ID |
75TO9xPfOhw |
| Name |
(3'-Methylaminobutyl)-1,3-benzodioxole |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
207.125928789 u |
| Formula |
C12H17NO2 |
| InChI |
InChI=1S/C12H17NO2/c1-9(13-2)3-4-10-5-6-11-12(7-10)15-8-14-11/h5-7,9,13H,3-4,8H2,1-2H3 |
| InChIKey |
IDARAQGFZJPPNW-UHFFFAOYSA-N |
| Molecular Weight |
207.273 g/mol |
| SMILES |
C12=C(C=CC(=C2)CCC(NC)C)OCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956783 |
