| SpectraBase Compound ID | 4WplNTXXyUQ |
|---|---|
| InChI | InChI=1S/C10H9ClO2/c1-2-9(12)7-13-10-5-3-4-8(11)6-10/h1,3-6,9,12H,7H2/t9-/m1/s1 |
| InChIKey | CEZMXOXWZYDVOU-SECBINFHSA-N |
| Mol Weight | 196.63 g/mol |
| Molecular Formula | C10H9ClO2 |
| Exact Mass | 196.029107 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J6Rcn90l3ys |
|---|---|
| Name | (R)-4-(3-Chlorophenoxy)-1-butyne-3-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.029107228 u |
| Formula | C10H9ClO2 |
| InChI | InChI=1S/C10H9ClO2/c1-2-9(12)7-13-10-5-3-4-8(11)6-10/h1,3-6,9,12H,7H2/t9-/m1/s1 |
| InChIKey | CEZMXOXWZYDVOU-SECBINFHSA-N |
| Molecular Weight | 196.633 g/mol |
| SMILES | C#C[C@](COC=1C=C(C=CC1)Cl)(O)[H] |