| SpectraBase Compound ID | LXOEadEUATW |
|---|---|
| InChI | InChI=1S/C9H13NO3S2/c1-7(10)9(14-15(11,12)13)8-5-3-2-4-6-8/h2-7,9H,10H2,1H3,(H,11,12,13) |
| InChIKey | IAOHVAANEKOGRU-UHFFFAOYSA-N |
| Mol Weight | 247.33 g/mol |
| Molecular Formula | C9H13NO3S2 |
| Exact Mass | 247.033686 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FWAFfl22Ptv |
|---|---|
| Name | Thiosulfuric acid, S-(2-amino-1-phenylpropyl)ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.033685628 u |
| Formula | C9H13NO3S2 |
| InChI | InChI=1S/C9H13NO3S2/c1-7(10)9(14-15(11,12)13)8-5-3-2-4-6-8/h2-7,9H,10H2,1H3,(H,11,12,13) |
| InChIKey | IAOHVAANEKOGRU-UHFFFAOYSA-N |
| Molecular Weight | 247.327 g/mol |
| SMILES | C1(=CC=CC=C1)C(C(N)C)SS(=O)(O)=O |