| SpectraBase Compound ID | 1Jj2scyC2SU |
|---|---|
| InChI | InChI=1S/C7H12O/c1-2-7-4-3-5-8-6-7/h6H,2-5H2,1H3 |
| InChIKey | INBHVTCDUPEGSZ-UHFFFAOYSA-N |
| Mol Weight | 112.17 g/mol |
| Molecular Formula | C7H12O |
| Exact Mass | 112.088815 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4GCFPqT7K2m |
|---|---|
| Name | INBHVTCDUPEGSZ-UHFFFAOYSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C7H12O |
| InChI | InChI=1S/C7H12O/c1-2-7-4-3-5-8-6-7/h6H,2-5H2,1H3 |
| InChIKey | INBHVTCDUPEGSZ-UHFFFAOYSA-N |
| Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
| Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2006) |
| Molecular Weight | 112.172 g/mol |
| Source File Reference | MHKO7444 |