| SpectraBase Compound ID | 8H0wjouRVJK |
|---|---|
| InChI | InChI=1S/C35H72O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-37-35-32-34-36-4-2/h3-35H2,1-2H3 |
| InChIKey | TXXXKIKIOHIGPF-UHFFFAOYSA-N |
| Mol Weight | 525.0 g/mol |
| Molecular Formula | C35H72O2 |
| Exact Mass | 524.553232 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L8Koq2Z4wfy |
|---|---|
| Name | 1,3-Propanediol, ethyl triacontyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 524.553231556 u |
| Formula | C35H72O2 |
| InChI | InChI=1S/C35H72O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-37-35-32-34-36-4-2/h3-35H2,1-2H3 |
| InChIKey | TXXXKIKIOHIGPF-UHFFFAOYSA-N |
| Molecular Weight | 524.959 g/mol |
| SMILES | C(COCC)COCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |