| SpectraBase Compound ID | FYaKD8CBle6 |
|---|---|
| InChI | InChI=1S/C8H9NOS/c1-5-7(4-11)3-9-6(2)8(5)10/h3-4,10H,1-2H3 |
| InChIKey | AJHFKVKHLKUFOR-UHFFFAOYSA-N |
| Mol Weight | 167.23 g/mol |
| Molecular Formula | C8H9NOS |
| Exact Mass | 167.040485 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7I2uGJXAH7p |
|---|---|
| Name | PYRITINOL-ARTIFACT 1 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C8H9NOS |
| InChI | InChI=1S/C8H9NOS/c1-5-7(4-11)3-9-6(2)8(5)10/h3-4,10H,1-2H3 |
| InChIKey | AJHFKVKHLKUFOR-UHFFFAOYSA-N |
| Instrument Name | GC |
| Molecular Weight | 167.226 g/mol |
| SMILES | Oc1c(C)c(C=S)cnc1C |
| SPLASH | splash10-014i-9800000000-85853876a396dcb8a6fd |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |