| SpectraBase Spectrum ID |
EQFAIxCa5m3 |
| Name |
6-Allyl-5-iodo-2,4-dimethoxy-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine |
| Appearance |
Colorless solid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
499.006272242 u |
| Formula |
C18H18IN3O4S |
| InChI |
InChI=1S/C18H18IN3O4S/c1-5-6-13-15(19)14-16(20-18(26-4)21-17(14)25-3)22(13)27(23,24)12-9-7-11(2)8-10-12/h5,7-10H,1,6H2,2-4H3 |
| InChIKey |
VLLRKFJJXLEORS-UHFFFAOYSA-N |
| Instrument Name |
FINNIGAN MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201602519 |
| Molecular Weight |
499.323 g/mol |
| Quality |
339 |
| Reported Formula |
C18H18IN3O4S |
| SMILES |
C1(=NC(=NC2=C1C(=C(N2S(C1=CC=C(C=C1)C)(=O)=O)CC=C)I)OC)OC |
| SPLASH |
splash10-0006-4129100000-b3a0d1fb382a39dd340a |
| Source of Spectrum |
QE-22-SM15-13 (DOI: 10.1002/chem.201602519) |
| Wiley ID |
1907757 |
![6-Allyl-5-iodo-2,4-dimethoxy-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine](/api/spectrum/EQFAIxCa5m3/structure.png?h=300&w=458 "6-Allyl-5-iodo-2,4-dimethoxy-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine")
