| SpectraBase Compound ID | LeB0koIqaBO |
|---|---|
| InChI | InChI=1S/C9H8N2S/c1-7-9(10-11-12-7)8-5-3-2-4-6-8/h2-6H,1H3 |
| InChIKey | JRIBFXXOLIOOTM-UHFFFAOYSA-N |
| Mol Weight | 176.24 g/mol |
| Molecular Formula | C9H8N2S |
| Exact Mass | 176.040819 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ci0Z3QqRCpv |
|---|---|
| Name | JRIBFXXOLIOOTM-UHFFFAOYSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C9H8N2S |
| InChI | InChI=1S/C9H8N2S/c1-7-9(10-11-12-7)8-5-3-2-4-6-8/h2-6H,1H3 |
| InChIKey | JRIBFXXOLIOOTM-UHFFFAOYSA-N |
| Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
| Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2006) |
| Molecular Weight | 176.236 g/mol |
| Source File Reference | MHKO7755 |