| SpectraBase Compound ID | AUYiVZceuVZ |
|---|---|
| InChI | InChI=1S/C13H17NO3S/c1-10(15)14-12(13(16)17-2)9-18-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,15)/i3D,4D,5D,6D,7D,8D2 |
| InChIKey | NELLUUAGFXJBKY-QULXAFGCSA-N |
| Mol Weight | 274.39 g/mol |
| Molecular Formula | C13H102D7NO3S |
| Exact Mass | 274.136852 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3UKoFKRAiSw |
|---|---|
| Name | Methyl 3-(heptadeuterio)benzyl-.alpha.thio-2-acetylaminopropionate Fig.2b |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H10D7NO3S |
| InChI | InChI=1S/C13H17NO3S/c1-10(15)14-12(13(16)17-2)9-18-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,15)/i3D,4D,5D,6D,7D,8D2 |
| InChIKey | NELLUUAGFXJBKY-QULXAFGCSA-N |
| Molecular Weight | 274.386 g/mol |
| SMILES | N(C(C(=O)OC)CSC(c1c(c([2D])c(c(c1[2D])[2D])[2D])[2D])([2D])[2D])C(=O)C |
| SPLASH | splash10-0002-9210000000-b217c4a14b6a5c82152e |
| Source of Spectrum | NW-1048-0-0 |
| Wiley ID | 1271050 |