| SpectraBase Spectrum ID |
JApJB0HRZke |
| Name |
Ethane, 1-(3,4-dihydro-1H-benzo[C]pyran-1-yl)methylamino-2-(1-pyrrolidinyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.188863400 u |
| Formula |
C16H24N2O |
| InChI |
InChI=1S/C16H24N2O/c1-2-6-15-14(5-1)7-12-19-16(15)13-17-8-11-18-9-3-4-10-18/h1-2,5-6,16-17H,3-4,7-13H2 |
| InChIKey |
QTKLXCLCMLIESY-UHFFFAOYSA-N |
| Molecular Weight |
260.381 g/mol |
| SMILES |
C1=CC=2CCOC(CNCCN3CCCC3)C2C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929726 |
![Ethane, 1-(3,4-dihydro-1H-benzo[c]pyran-1-yl)methylamino-2-(1-pyrrolidinyl)-](/api/spectrum/JApJB0HRZke/structure.png?h=300&w=458 "Ethane, 1-(3,4-dihydro-1H-benzo[c]pyran-1-yl)methylamino-2-(1-pyrrolidinyl)-")
