| SpectraBase Spectrum ID |
Vy78D6xua |
| Name |
Methyl 4-(1-(quinoxalin-2-yl)-1H-1,2,3-triazol-4-yl)benzoate |
| Appearance |
Brown solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.106924677 u |
| Formula |
C18H13N5O2 |
| InChI |
InChI=1S/C18H13N5O2/c1-25-18(24)13-8-6-12(7-9-13)16-11-23(22-21-16)17-10-19-14-4-2-3-5-15(14)20-17/h2-11H,1H3 |
| InChIKey |
FEZUXVAXRREZEP-UHFFFAOYSA-N |
| Instrument Name |
FINNIGAN MAT 95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.18.111 |
| Molecular Weight |
331.335 g/mol |
| Reported Formula |
C18H13O2N5 |
| SMILES |
COC(C1=CC=C(C=C1)C=1N=NN(C1)C1=NC2=C(N=C1)C=CC=C2)=O |
| SPLASH |
splash10-0ufr-0629000000-5fb7a01a228c92a6b87d |
| Source of Spectrum |
BJO-18-SM42-14e (DOI: 10.3762/bjoc.18.111) |
| Thin-Layer Chromatography |
0.21 (cyclohexane/ethyl acetate, 2:1) |
| Wiley ID |
1901199 |
