| SpectraBase Spectrum ID |
3F4qznZxJSh |
| Name |
Ethyl 4-(5-allyl-1-benzyl-1H-1,2,3-triazol-4-yl)benzoate |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
347.163376926 u |
| Formula |
C21H21N3O2 |
| InChI |
InChI=1S/C21H21N3O2/c1-3-8-19-20(17-11-13-18(14-12-17)21(25)26-4-2)22-23-24(19)15-16-9-6-5-7-10-16/h3,5-7,9-14H,1,4,8,15H2,2H3 |
| InChIKey |
QYXJKGVXIHMETJ-UHFFFAOYSA-N |
| Instrument Name |
Hewlett-Packard 6890 or 5890 Series II |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201704400 |
| Molecular Weight |
347.418 g/mol |
| Quality |
71 |
| Reported Formula |
C21H21N3O2 |
| SMILES |
C(C)OC(C1=CC=C(C=C1)C=1N=NN(C1CC=C)CC1=CC=CC=C1)=O |
| SPLASH |
splash10-0002-1091000000-1947387a740807950763 |
| Source of Spectrum |
ACI-56-SM18-16b (DOI: 10.1002/anie.201704400) |
| Wiley ID |
1896178 |
