| SpectraBase Compound ID | mebmIsTwqc |
|---|---|
| InChI | InChI=1S/C9H7NO4/c11-9-4-6-1-2-8(10(12)13)3-7(6)5-14-9/h1-3H,4-5H2 |
| InChIKey | VHMCYGLKUONZLS-UHFFFAOYSA-N |
| Mol Weight | 193.16 g/mol |
| Molecular Formula | C9H7NO4 |
| Exact Mass | 193.037508 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4aUhxCBj5xO |
|---|---|
| Name | 7-nitroisochroman-3-one |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C9H7NO4 |
| InChI | InChI=1S/C9H7NO4/c11-9-4-6-1-2-8(10(12)13)3-7(6)5-14-9/h1-3H,4-5H2 |
| InChIKey | VHMCYGLKUONZLS-UHFFFAOYSA-N |
| Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
| Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2006) |
| Molecular Weight | 193.159 g/mol |
| Source File Reference | MHKO761 |