| SpectraBase Spectrum ID |
H4xLeaAQp3p |
| Name |
4-Oxo-3-(phenylthio)pentanal |
| Alternate Name(s) |
4-keto-3-(phenylthio)valeraldehyde
4-oxidanylidene-3-phenylsulfanyl-pentanal
4-oxo-3-phenylsulfanylpentanal |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H12O2S |
| InChI |
InChI=1S/C11H12O2S/c1-9(13)11(7-8-12)14-10-5-3-2-4-6-10/h2-6,8,11H,7H2,1H3 |
| InChIKey |
RBGQXXLYOOQWGL-UHFFFAOYSA-N |
| Molecular Weight |
208.275 g/mol |
| SMILES |
C(Sc1ccccc1)(C(=O)C)CC=O |
| SPLASH |
splash10-000i-0940000000-86db3934155fb7c121e1 |
| Source of Spectrum |
J-60-8388-1 |
| Wiley ID |
1206496 |
