| SpectraBase Spectrum ID |
KgpvQZm58Hf |
| Name |
Pyrazole <3-methyl-> |
| CAS Registry Number |
1453-58-3 |
| 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 |
82.053098201 u |
| Formula |
C4H6N2 |
| InChI |
InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6) |
| InChIKey |
XKVUYEYANWFIJX-UHFFFAOYSA-N |
| Molecular Weight |
82.106 g/mol |
| Number of Peaks |
27 |
| RI1 |
955 |
| RI2 |
630 |
| SMILES |
[nH]1ccc(n1)C |
| SPLASH |
splash10-001i-9000000000-ab3fd0c1dce32130632a |
| Sample Comments |
RI1: measured on SLB-5ms (Hydro)
RI2: measured on SLB-5ms (FAMEs)
RI3: measured on Supelcowax-10 (FAMEs)
RI4: measured on Supelcowax-10 (FAEEs)
RI5: measured on Equity-1 (Hydro) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
1H-Pyrazole, 3-methyl- |
| Wiley ID |
LM_FFNSC3_976 |
