| SpectraBase Compound ID | 2ebbQwdTb72 |
|---|---|
| InChI | InChI=1S/C7H8O2/c8-7(9)6-4-2-1-3-5(4)6/h1-2,4-6H,3H2,(H,8,9)/t4-,5+,6+/m1/s1 |
| InChIKey | KAUUWVPNBGEFOG-SRQIZXRXSA-N |
| Mol Weight | 124.14 g/mol |
| Molecular Formula | C7H8O2 |
| Exact Mass | 124.052429 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IIq4cxlKCto |
|---|---|
| Name | EXO-ISOMER |
| Compound Number | 704 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C7H8O2 |
| InChI | InChI=1S/C7H8O2/c8-7(9)6-4-2-1-3-5(4)6/h1-2,4-6H,3H2,(H,8,9)/t4-,5+,6+/m1/s1 |
| InChIKey | KAUUWVPNBGEFOG-SRQIZXRXSA-N |
| Literature Reference Author | W.ROBIEN |
| Literature Reference Citation | W.ROBIEN,PRIVATE_COMMUNICATION |
| Molecular Weight | 124.139 g/mol |
| Sample ID | 451 |
| Solvent | CDCl3 |