| SpectraBase Compound ID | 8f7U19WoMEM |
|---|---|
| InChI | InChI=1S/C18H25N5O4S/c1-23(2)15-9-3-7-13-12(15)6-4-10-16(13)28(26,27)22-14(17(24)25)8-5-11-21-18(19)20/h3-4,6-7,9-10,14,22H,5,8,11H2,1-2H3,(H,24,25)(H4,19,20,21)/t14-/m0/s1 |
| InChIKey | HRBPBWKDJGGGCX-AWEZNQCLSA-N |
| Mol Weight | 407.49 g/mol |
| Molecular Formula | C18H25N5O4S |
| Exact Mass | 407.162725 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2bqKmjSnRpB |
|---|---|
| Name | Dansyl-L-arginine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 407.162725475 u |
| Formula | C18H25N5O4S |
| InChI | InChI=1S/C18H25N5O4S/c1-23(2)15-9-3-7-13-12(15)6-4-10-16(13)28(26,27)22-14(17(24)25)8-5-11-21-18(19)20/h3-4,6-7,9-10,14,22H,5,8,11H2,1-2H3,(H,24,25)(H4,19,20,21)/t14-/m0/s1 |
| InChIKey | HRBPBWKDJGGGCX-AWEZNQCLSA-N |
| Molecular Weight | 407.489 g/mol |
| SMILES | C(O)([C@](CCCNC(=N)N)(NS(=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)N(C)C)[H])=O |