| SpectraBase Spectrum ID |
CPT32gmr8I |
| Name |
3C-dfm 2All |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
341.180249992 u |
| Formula |
C18H25F2NO3 |
| InChI |
InChI=1S/C18H25F2NO3/c1-6-8-21(9-7-2)13(3)10-14-11-15(22-4)17(24-18(19)20)16(12-14)23-5/h6-7,11-13,18H,1-2,8-10H2,3-5H3 |
| InChIKey |
BWAPDDJRVVWHQN-UHFFFAOYSA-N |
| Molecular Weight |
341.399 g/mol |
| SMILES |
C1(=C(C=C(C=C1OC)CC(N(CC=C)CC=C)C)OC)OC(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880454 |
