| SpectraBase Spectrum ID |
J1MrGiOmiA1 |
| Name |
6-Fluoranyl-3-[2-(6-fluoranyl-2,4-dihydro-1,3-benzoxazin-3-yl)ethyl]-2,4-dihydro-1,3-benzoxazine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.133634152 u |
| Formula |
C18H18F2N2O2 |
| InChI |
InChI=1S/C18H18F2N2O2/c19-15-1-3-17-13(7-15)9-21(11-23-17)5-6-22-10-14-8-16(20)2-4-18(14)24-12-22/h1-4,7-8H,5-6,9-12H2 |
| InChIKey |
AFXAOJWPYIHGEZ-UHFFFAOYSA-N |
| Molecular Weight |
332.351 g/mol |
| SMILES |
C=12C(OCN(C2)CCN2CC3=CC(F)=CC=C3OC2)=CC=C(C1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872647 |
![6-Fluoranyl-3-[2-(6-fluoranyl-2,4-dihydro-1,3-benzoxazin-3-yl)ethyl]-2,4-dihydro-1,3-benzoxazine](/api/spectrum/J1MrGiOmiA1/structure.png?h=300&w=458 "6-Fluoranyl-3-[2-(6-fluoranyl-2,4-dihydro-1,3-benzoxazin-3-yl)ethyl]-2,4-dihydro-1,3-benzoxazine")
