![Acetamide, N-[1-(mercaptomethyl)heptyl]-](/api/spectrum/8W9yMW1yMm4/structure.png?h=300&w=458 "Acetamide, N-[1-(mercaptomethyl)heptyl]-")
| SpectraBase Compound ID | 5rPOB3qDAT8 |
|---|---|
| InChI | InChI=1S/C10H21NOS/c1-3-4-5-6-7-10(8-13)11-9(2)12/h10,13H,3-8H2,1-2H3,(H,11,12) |
| InChIKey | PHAIDZWFFNAYMZ-UHFFFAOYSA-N |
| Mol Weight | 203.34 g/mol |
| Molecular Formula | C10H21NOS |
| Exact Mass | 203.134385 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8W9yMW1yMm4 |
|---|---|
| Name | Acetamide, N-[1-(mercaptomethyl)heptyl]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.134385473 u |
| Formula | C10H21NOS |
| InChI | InChI=1S/C10H21NOS/c1-3-4-5-6-7-10(8-13)11-9(2)12/h10,13H,3-8H2,1-2H3,(H,11,12) |
| InChIKey | PHAIDZWFFNAYMZ-UHFFFAOYSA-N |
| Molecular Weight | 203.344 g/mol |
| SMILES | C(NC(CS)CCCCCC)(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.973517 |