| SpectraBase Spectrum ID |
8HsSJ7fvEH2 |
| Name |
4-Methyl-5-(3,4-methylenedioxy)phenylpyrimidine |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
214.074227568 u |
| Formula |
C12H10N2O2 |
| InChI |
InChI=1S/C12H10N2O2/c1-8-10(5-13-6-14-8)9-2-3-11-12(4-9)16-7-15-11/h2-6H,7H2,1H3 |
| InChIKey |
XYYMQUHSVBGSSO-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
214.224 g/mol |
| Nominal Mass |
214 u |
| Quality |
963 |
| Retention Index |
1776 |
| SMILES |
C1(C=2C=C3C(=CC2)OCO3)=C(N=CN=C1)C |
| SPLASH |
splash10-03di-6390000000-e25ef022fa5774259a23 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
5-(1,3-Benzodioxol-5-yl)-4-methylpyrimidine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_019303 |
