| SpectraBase Compound ID | 3fBGc85k6v |
|---|---|
| InChI | InChI=1S/C14H22O2/c1-5-6-11(15)16-13-10-8-7-9(2)12(13)14(10,3)4/h7,10,12-13H,5-6,8H2,1-4H3/t10-,12+,13-/m1/s1 |
| InChIKey | HGTWZXWLAFIIDA-KGYLQXTDSA-N |
| Mol Weight | 222.33 g/mol |
| Molecular Formula | C14H22O2 |
| Exact Mass | 222.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6uLvR4VBLeH |
|---|---|
| Name | cis-Chrysanthenyl butyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.161979946 u |
| Formula | C14H22O2 |
| InChI | InChI=1S/C14H22O2/c1-5-6-11(15)16-13-10-8-7-9(2)12(13)14(10,3)4/h7,10,12-13H,5-6,8H2,1-4H3/t10-,12+,13-/m1/s1 |
| InChIKey | HGTWZXWLAFIIDA-KGYLQXTDSA-N |
| Molecular Weight | 222.328 g/mol |
| SMILES | [C@@]12(C([C@@]([C@]2(OC(CCC)=O)[H])(CC=C1C)[H])(C)C)[H] |