| SpectraBase Spectrum ID |
9CIR24fGovm |
| Name |
9-Bromo-5,5,9-trimethyl-3-phenyl-2-oxa-4-azabicyclo[4.3.1]dec-3-ene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
335.088477331 u |
| Formula |
C17H22BrNO |
| InChI |
InChI=1S/C17H22BrNO/c1-16(2)13-9-10-17(3,18)14(11-13)20-15(19-16)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3 |
| InChIKey |
DBNGONOLBFNVHR-UHFFFAOYSA-N |
| Molecular Weight |
336.273 g/mol |
| SMILES |
C12OC(=NC(C(CCC2(C)Br)C1)(C)C)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907613 |
![9-Bromo-5,5,9-trimethyl-3-phenyl-2-oxa-4-azabicyclo[4.3.1]dec-3-ene](/api/spectrum/9CIR24fGovm/structure.png?h=300&w=458 "9-Bromo-5,5,9-trimethyl-3-phenyl-2-oxa-4-azabicyclo[4.3.1]dec-3-ene")
