| SpectraBase Spectrum ID |
Bxne1c1bscM |
| Name |
1-(5H-Dibenzo[B,F]azepin-5-yl)-2,2,3,3,4,4,4-heptafluorobutan-1-on |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
389.065061086 u |
| Formula |
C18H10F7NO |
| InChI |
InChI=1S/C18H10F7NO/c19-16(20,17(21,22)18(23,24)25)15(27)26-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)26/h1-10H |
| InChIKey |
DOMUJMBAZLVFBP-UHFFFAOYSA-N |
| Molecular Weight |
389.273 g/mol |
| SMILES |
C1=2N(C3=C(C=CC2C=CC=C1)C=CC=C3)C(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861248 |
![1-(5H-Dibenzo[B,F]azepin-5-yl)-2,2,3,3,4,4,4-heptafluorobutan-1-on](/api/spectrum/Bxne1c1bscM/structure.png?h=300&w=458 "1-(5H-Dibenzo[B,F]azepin-5-yl)-2,2,3,3,4,4,4-heptafluorobutan-1-on")
