| SpectraBase Compound ID | EPRiN9Uhy9R |
|---|---|
| InChI | InChI=1S/C5H7NO2S/c7-5(8)2-1-3-6-4-9/h1-3H2,(H,7,8) |
| InChIKey | RYKZJWRREHJQMQ-UHFFFAOYSA-N |
| Mol Weight | 145.18 g/mol |
| Molecular Formula | C5H7NO2S |
| Exact Mass | 145.01975 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KfasZ6jgOyT |
|---|---|
| Name | 4-isothiocyanatobutanoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C5H7NO2S |
| InChI | InChI=1S/C5H7NO2S/c7-5(8)2-1-3-6-4-9/h1-3H2,(H,7,8) |
| InChIKey | RYKZJWRREHJQMQ-UHFFFAOYSA-N |
| Molecular Weight | 145.176 g/mol |
| SMILES | OC(CCCN=C=S)=O |
| SPLASH | splash10-000j-9100000000-340f0037dea072d253b7 |
| Source of Spectrum | Niko Radulovic, et al. Food Chemistry, V.129, 2011, P.125-130 |
| Wiley ID | 1817149 |