| SpectraBase Spectrum ID |
BUjvzM6hML6 |
| Name |
N-iso-Propyl-N-N-propyl-1-(3,4-methylenedioxyphenyl)butan-2-amine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
277.204179111 u |
| Formula |
C17H27NO2 |
| InChI |
InChI=1S/C17H27NO2/c1-5-9-18(13(3)4)15(6-2)10-14-7-8-16-17(11-14)20-12-19-16/h7-8,11,13,15H,5-6,9-10,12H2,1-4H3 |
| InChIKey |
MYHBGXJBVBFCMA-UHFFFAOYSA-N |
| Molecular Weight |
277.408 g/mol |
| SMILES |
C1=2C(=CC=C(C2)CC(N(C(C)C)CCC)CC)OCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953258 |
