| SpectraBase Spectrum ID |
86hr5S6Lt2K |
| Name |
1-(1H-Benzotriazol-1-yl)-3,4,4-trichloro-N-(2-fluorobenzyl)-2-nitrobuta-1,3-dienyl-1-amine |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
440.996235875 u |
| Formula |
C17H11Cl3FN5O2 |
| InChI |
InChI=1S/C17H11Cl3FN5O2/c18-14(16(19)20)15(26(27)28)17(22-9-10-5-1-2-6-11(10)21)25-13-8-4-3-7-12(13)23-24-25/h1-8,22H,9H2 |
| InChIKey |
JTZAEBJPXDUBCU-UHFFFAOYSA-N |
| Instrument Name |
Hewlett-Packard 5989B |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.18.54 |
| Molecular Weight |
442.665 g/mol |
| Quality |
111 |
| Reported Formula |
C17H11Cl3FN5O2 |
| SMILES |
N(C(=C(C(=C(Cl)Cl)Cl)[N+]([O-])=O)N1N=NC2=C1C=CC=C2)CC1=CC=CC=C1F |
| SPLASH |
splash10-0a4i-0900000000-b318aaed3b053e8e90d4 |
| Sample Comments |
Mixture of two rotamers = (1:1) |
| Source of Spectrum |
BJO-18-SM8-4l (DOI: 10.3762/bjoc.18.54) |
| Wiley ID |
1901296 |
