| SpectraBase Spectrum ID |
CAFKu9qrLPy |
| Name |
1,3-Benzodioxol, 5-bromo-6-[1-hexahydroindolyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
335.052091822 u |
| Formula |
C16H18BrNO2 |
| InChI |
InChI=1S/C16H18BrNO2/c17-13-8-16-15(19-10-20-16)7-12(13)9-18-6-5-11-3-1-2-4-14(11)18/h7-8H,1-6,9-10H2 |
| InChIKey |
NSQJTPNCBNBIJU-UHFFFAOYSA-N |
| Molecular Weight |
336.229 g/mol |
| SMILES |
C1=C(C(=CC2=C1OCO2)Br)CN1CCC=2CCCCC12 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949376 |
![1,3-Benzodioxol, 5-bromo-6-[1-hexahydroindolyl]-](/api/spectrum/CAFKu9qrLPy/structure.png?h=300&w=458 "1,3-Benzodioxol, 5-bromo-6-[1-hexahydroindolyl]-")
