| SpectraBase Compound ID | Fq0E0l0AqiA |
|---|---|
| InChI | InChI=1S/C7H8/c1-2-3(1)5-6-4(2)7(5)6/h2-7H,1H2 |
| InChIKey | QBLIOMUVZBDTLW-UHFFFAOYSA-N |
| Mol Weight | 92.14 g/mol |
| Molecular Formula | C7H8 |
| Exact Mass | 92.0626 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4oNnpq3ZP9N |
|---|---|
| Name | QBLIOMUVZBDTLW-UHFFFAOYSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C7H8 |
| InChI | InChI=1S/C7H8/c1-2-3(1)5-6-4(2)7(5)6/h2-7H,1H2 |
| InChIKey | QBLIOMUVZBDTLW-UHFFFAOYSA-N |
| Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
| Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2006) |
| Molecular Weight | 92.141 g/mol |
| Source File Reference | MHKO9309 |