![2-{2-[p-(Hexadecyloxy)benzoyl]acetamido}-4-phenyl-5-thiazolesulfonyl fluoride](/api/spectrum/8oqIz1N3uF6/structure.png?h=300&w=458 "2-{2-[p-(Hexadecyloxy)benzoyl]acetamido}-4-phenyl-5-thiazolesulfonyl fluoride")
| SpectraBase Compound ID | 7ZHFsrmF0Zl |
|---|---|
| InChI | InChI=1S/C34H45FN2O5S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-25-42-29-23-21-27(22-24-29)30(38)26-31(39)36-34-37-32(28-19-16-15-17-20-28)33(43-34)44(35,40)41/h15-17,19-24H,2-14,18,25-26H2,1H3,(H,36,37,39) |
| InChIKey | AMGWLIAOPVRHSO-UHFFFAOYSA-N |
| Mol Weight | 644.9 g/mol |
| Molecular Formula | C34H45FN2O5S2 |
| Exact Mass | 644.275393 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8oqIz1N3uF6 |
|---|---|
| Name | 2-{2-[p-(Hexadecyloxy)benzoyl]acetamido}-4-phenyl-5-thiazolesulfonyl fluoride |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 644.275393063 u |
| Formula | C34H45FN2O5S2 |
| InChI | InChI=1S/C34H45FN2O5S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-25-42-29-23-21-27(22-24-29)30(38)26-31(39)36-34-37-32(28-19-16-15-17-20-28)33(43-34)44(35,40)41/h15-17,19-24H,2-14,18,25-26H2,1H3,(H,36,37,39) |
| InChIKey | AMGWLIAOPVRHSO-UHFFFAOYSA-N |
| Molecular Weight | 644.861 g/mol |
| SMILES | N(C1=NC(C=2C=CC=CC2)=C(S1)S(F)(=O)=O)C(=O)CC(C=1C=CC(=CC1)OCCCCCCCCCCCCCCCC)=O |