| SpectraBase Compound ID | IdYppFb0VPs |
|---|---|
| InChI | InChI=1S/C9H16O4S2/c1-3-12-8(10)5-14-7-15-6-9(11)13-4-2/h3-7H2,1-2H3 |
| InChIKey | NBNGVIRHOBZBHM-UHFFFAOYSA-N |
| Mol Weight | 252.34 g/mol |
| Molecular Formula | C9H16O4S2 |
| Exact Mass | 252.049001 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 521W74uRSBH |
|---|---|
| Name | (Methylenedithio)diacetic acid, diethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.049001339 u |
| Formula | C9H16O4S2 |
| InChI | InChI=1S/C9H16O4S2/c1-3-12-8(10)5-14-7-15-6-9(11)13-4-2/h3-7H2,1-2H3 |
| InChIKey | NBNGVIRHOBZBHM-UHFFFAOYSA-N |
| Molecular Weight | 252.343 g/mol |
| SMILES | CCOC(CSCSCC(OCC)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.990498 |