| SpectraBase Spectrum ID |
B1Mlh1s5g00 |
| Name |
2-DEMETHYL-DIFENZOQUATE |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
234.115698459 u |
| Formula |
C16H14N2 |
| InChI |
InChI=1S/C16H14N2/c1-18-16(14-10-6-3-7-11-14)12-15(17-18)13-8-4-2-5-9-13/h2-12H,1H3 |
| InChIKey |
SVDTUJAQNAQGGW-UHFFFAOYSA-N |
| Molecular Weight |
234.302 g/mol |
| Nominal Mass |
234 u |
| Number of Peaks |
76 |
| SMILES |
c1c(-c2[n](nc(c2)-c2ccccc2)C)cccc1 |
| SPLASH |
splash10-001i-3490000000-efa5ca894c5d58544a17 |
| Source of Spectrum |
Dr. Rolf Kuehnle |
| Synonyms |
1-methyl-3,5-diphenyl-1H-pyrazole |
| Technique |
GC/MS |
| Wiley ID |
WID_MSPA_3775 |
