| SpectraBase Compound ID | Kcp4Iy0ngf8 |
|---|---|
| InChI | InChI=1S/C8H7NO3/c10-8-5-12-7-4-2-1-3-6(7)9(8)11/h1-4,11H,5H2 |
| InChIKey | PTSQWRVYIPQDJA-UHFFFAOYSA-N |
| Mol Weight | 165.15 g/mol |
| Molecular Formula | C8H7NO3 |
| Exact Mass | 165.042593 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6rv2FWqfRjE |
|---|---|
| Name | PTSQWRVYIPQDJA-UHFFFAOYSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C8H6NO3 |
| InChI | InChI=1S/C8H7NO3/c10-8-5-12-7-4-2-1-3-6(7)9(8)11/h1-4,11H,5H2 |
| InChIKey | PTSQWRVYIPQDJA-UHFFFAOYSA-N |
| Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
| Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2007) |
| Molecular Weight | 164.141 g/mol |
| Source File Reference | MHKO13506 |