| SpectraBase Spectrum ID |
4Hw2s9e31tY |
| Name |
1-(1H-Benzotriazol-1-yl)-1-methylamino-3,4,4-trichloro-2-nitrobuta-1,3-diene |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.974357616 u |
| Formula |
C11H8Cl3N5O2 |
| InChI |
InChI=1S/C11H8Cl3N5O2/c1-15-11(9(19(20)21)8(12)10(13)14)18-7-5-3-2-4-6(7)16-17-18/h2-5,15H,1H3/b11-9+ |
| InChIKey |
LPQIBGUSKDZSMC-PKNBQFBNSA-N |
| Instrument Name |
Hewlett-Packard 5989B |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.18.54 |
| Molecular Weight |
348.577 g/mol |
| Quality |
107 |
| Reported Formula |
C11H8Cl3N5O2 |
| SMILES |
N(\C(=C\(C(=C(Cl)Cl)Cl)[N+]([O-])=O)N1N=NC2=C1C=CC=C2)C |
| SPLASH |
splash10-014i-0911000000-2c64002abb89a334364a |
| Sample Comments |
Mixture of (Z/E) = 1:1 |
| Source of Spectrum |
BJO-18-SM6-4a (DOI: 10.3762/bjoc.18.54) |
| Wiley ID |
1901295 |
