![1-Benzyl-5-[(p-butoxyphenyl)sulfonyl]biguanide](/api/spectrum/ABBQdoJzfZf/structure.png?h=300&w=458 "1-Benzyl-5-[(p-butoxyphenyl)sulfonyl]biguanide")
| SpectraBase Compound ID | 1YFzfpYELRe |
|---|---|
| InChI | InChI=1S/C19H25N5O3S/c1-2-3-13-27-16-9-11-17(12-10-16)28(25,26)24-19(21)23-18(20)22-14-15-7-5-4-6-8-15/h4-12H,2-3,13-14H2,1H3,(H5,20,21,22,23,24) |
| InChIKey | AEBXJHQGUPZSEF-UHFFFAOYSA-N |
| Mol Weight | 403.5 g/mol |
| Molecular Formula | C19H25N5O3S |
| Exact Mass | 403.167811 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ABBQdoJzfZf |
|---|---|
| Name | 1-Benzyl-5-[(p-butoxyphenyl)sulfonyl]biguanide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 403.167810856 u |
| Formula | C19H25N5O3S |
| InChI | InChI=1S/C19H25N5O3S/c1-2-3-13-27-16-9-11-17(12-10-16)28(25,26)24-19(21)23-18(20)22-14-15-7-5-4-6-8-15/h4-12H,2-3,13-14H2,1H3,(H5,20,21,22,23,24) |
| InChIKey | AEBXJHQGUPZSEF-UHFFFAOYSA-N |
| Molecular Weight | 403.501 g/mol |
| SMILES | N(CC1=CC=CC=C1)C(NC(NS(=O)(=O)C=1C=CC(=CC1)OCCCC)=N)=N |