| SpectraBase Compound ID | 7rKWXHWwGxH |
|---|---|
| InChI | InChI=1S/C21H24O3/c1-13(2)5-7-17-16-8-6-14-11-15(23-3)12-20(24-4)21(14)18(16)9-10-19(17)22/h5,9-12,22H,6-8H2,1-4H3 |
| InChIKey | BRXQFDLAURPTNU-UHFFFAOYSA-N |
| Mol Weight | 324.42 g/mol |
| Molecular Formula | C21H24O3 |
| Exact Mass | 324.172545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Jwl56fVmhL |
|---|---|
| Name | dhp-I (Spiranthol B) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.172544630 u |
| Formula | C21H24O3 |
| InChI | InChI=1S/C21H24O3/c1-13(2)5-7-17-16-8-6-14-11-15(23-3)12-20(24-4)21(14)18(16)9-10-19(17)22/h5,9-12,22H,6-8H2,1-4H3 |
| InChIKey | BRXQFDLAURPTNU-UHFFFAOYSA-N |
| Molecular Weight | 324.420 g/mol |
| SMILES | C1=2C(=C(CC=C(C)C)C(=CC2)O)CCC=2C1=C(C=C(OC)C2)OC |