| SpectraBase Compound ID | 7OTXbBoD224 |
|---|---|
| InChI | InChI=1S/C10H13NO2.C7H8O3S/c1-8(11)10(12)13-7-9-5-3-2-4-6-9;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,8H,7,11H2,1H3;2-5H,1H3,(H,8,9,10) |
| InChIKey | NWOPHJSSBMABBD-UHFFFAOYSA-N |
| Mol Weight | 351.42 g/mol |
| Molecular Formula | C17H21NO5S |
| Exact Mass | 351.114044 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | LjDFeKxU3Bo |
|---|---|
| Name | DL-Alanine, phenylmethyl ester, 4-methyl-benzene-sulfonate |
| CAS Registry Number | 35386-78-8 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C17H21NO5S |
| InChI | InChI=1S/C10H13NO2.C7H8O3S/c1-8(11)10(12)13-7-9-5-3-2-4-6-9;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,8H,7,11H2,1H3;2-5H,1H3,(H,8,9,10) |
| InChIKey | NWOPHJSSBMABBD-UHFFFAOYSA-N |
| Instrument Name | Bruker IFS 112 |
| Technique | KBr-Pellet |