| SpectraBase Compound ID | LoRiKVy57o |
|---|---|
| InChI | InChI=1S/C19H23IO3S/c1-15-10-12-18(13-11-15)24(22,23)14-17(20)8-5-9-19(21)16-6-3-2-4-7-16/h2-4,6-7,10-13,17,19,21H,5,8-9,14H2,1H3 |
| InChIKey | LVAOJHYVAYBYTM-UHFFFAOYSA-N |
| Mol Weight | 458.35 g/mol |
| Molecular Formula | C19H23IO3S |
| Exact Mass | 458.041261 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 | FH0a65tzzEz |
|---|---|
| Name | 5-Iodo-1-phenyl-6-(p-toluenesulfonyl)hexan-1-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 458.041260772 u |
| Formula | C19H23IO3S |
| InChI | InChI=1S/C19H23IO3S/c1-15-10-12-18(13-11-15)24(22,23)14-17(20)8-5-9-19(21)16-6-3-2-4-7-16/h2-4,6-7,10-13,17,19,21H,5,8-9,14H2,1H3 |
| InChIKey | LVAOJHYVAYBYTM-UHFFFAOYSA-N |
| Molecular Weight | 458.354 g/mol |
| SMILES | C(S(C=1C=CC(=CC1)C)(=O)=O)C(I)CCCC(C1=CC=CC=C1)O |