| SpectraBase Compound ID | 2vzVQxR4JzC |
|---|---|
| InChI | InChI=1S/C12H21ClO2/c1-9(2)12(13)6-5-10(3)7-8-15-11(4)14/h10,12H,1,5-8H2,2-4H3 |
| InChIKey | BHBSNEFCQFHMQK-UHFFFAOYSA-N |
| Mol Weight | 232.75 g/mol |
| Molecular Formula | C12H21ClO2 |
| Exact Mass | 232.123008 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3G72AvVbMZP |
|---|---|
| Name | .alpha.-Citronellyl acetate, 6-chloro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.123007614 u |
| Formula | C12H21ClO2 |
| InChI | InChI=1S/C12H21ClO2/c1-9(2)12(13)6-5-10(3)7-8-15-11(4)14/h10,12H,1,5-8H2,2-4H3 |
| InChIKey | BHBSNEFCQFHMQK-UHFFFAOYSA-N |
| Molecular Weight | 232.751 g/mol |
| SMILES | C=C(C)C(Cl)CCC(CCOC(C)=O)C |