![2-[(2'-Methylthio)methoxy]-1,3-propanediol](/api/spectrum/GB7CwEsCXv0/structure.png?h=300&w=458 "2-[(2'-Methylthio)methoxy]-1,3-propanediol")
| SpectraBase Compound ID | J3C5hWSAFyp |
|---|---|
| InChI | InChI=1S/C5H12O3S/c1-9-4-8-5(2-6)3-7/h5-7H,2-4H2,1H3 |
| InChIKey | LAMUULQSUCURJI-UHFFFAOYSA-N |
| Mol Weight | 152.21 g/mol |
| Molecular Formula | C5H12O3S |
| Exact Mass | 152.050715 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GB7CwEsCXv0 |
|---|---|
| Name | 2-[(2'-Methylthio)methoxy]-1,3-propanediol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 152.050715417 u |
| Formula | C5H12O3S |
| InChI | InChI=1S/C5H12O3S/c1-9-4-8-5(2-6)3-7/h5-7H,2-4H2,1H3 |
| InChIKey | LAMUULQSUCURJI-UHFFFAOYSA-N |
| SMILES | C(SC)OC(CO)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.896029 |