| SpectraBase Compound ID | 3qlrSIhEv6z |
|---|---|
| InChI | InChI=1S/C11H23NOS/c1-6-14-11(13)12(7-9(2)3)8-10(4)5/h9-10H,6-8H2,1-5H3 |
| InChIKey | BMTAFVWTTFSTOG-UHFFFAOYSA-N |
| Mol Weight | 217.37 g/mol |
| Molecular Formula | C11H23NOS |
| Exact Mass | 217.150036 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | JORIlQ1kCem |
|---|---|
| Name | Butylate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.150035538 u |
| Formula | C11H23NOS |
| InChI | InChI=1S/C11H23NOS/c1-6-14-11(13)12(7-9(2)3)8-10(4)5/h9-10H,6-8H2,1-5H3 |
| InChIKey | BMTAFVWTTFSTOG-UHFFFAOYSA-N |
| Molecular Weight | 217.371 g/mol |
| SMILES | CCSC(N(CC(C)C)CC(C)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.959374 |