| SpectraBase Compound ID | 5WqJUljZ9Mp |
|---|---|
| InChI | InChI=1S/C13H21NOS/c1-5-14-10(2)8-11-6-7-12(15-3)13(9-11)16-4/h6-7,9-10,14H,5,8H2,1-4H3 |
| InChIKey | QYXKARKTCMRNRB-UHFFFAOYSA-N |
| Mol Weight | 239.38 g/mol |
| Molecular Formula | C13H21NOS |
| Exact Mass | 239.134385 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B5xyTC9aXKB |
|---|---|
| Name | 3-mt-4-ma et |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.134385473 u |
| Formula | C13H21NOS |
| InChI | InChI=1S/C13H21NOS/c1-5-14-10(2)8-11-6-7-12(15-3)13(9-11)16-4/h6-7,9-10,14H,5,8H2,1-4H3 |
| InChIKey | QYXKARKTCMRNRB-UHFFFAOYSA-N |
| Molecular Weight | 239.377 g/mol |
| SMILES | C1(=CC(=C(C=C1)OC)SC)CC(NCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917089 |